(1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide

C118H257N25O17 — CID 158717030

IUPAC(1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@@H]1C(N)=O.CC(C)N1CCC[C@H]1C(N)=O.CC(C)N1CCN(C)C(CO)C1.CC(C)N1CCN(C)CC1CO.CC(C)N1CCN(C)C[C@@H]1CO.CC(C)N1CCN(C)C[C@H]1CO.CC(C)N1CCN(C)[C@@H](CO)C1.CC(C)N1CCN(C)[C@H](CO)C1.CC(C)N1CCNC(CO)C1.CC(C)N1CCN[C@@H](CO)C1.CC(C)N1CCN[C@H](CO)C1.CC(C)N1CCOC(CO)C1.CC(C)N1CCO[C@@H](CO)C1.CC(C)N1CCO[C@H](CO)C1
InChIInChI=1S/6C9H20N2O.3C8H18N2O.2C8H16N2O.3C8H17NO2/c3*1-8(2)11-5-4-10(3)9(6-11)7-12;3*1-8(2)11-5-4-10(3)6-9(11)7-12;3*1-7(2)10-4-3-9-8(5-10)6-11;2*1-6(2)10-5-3-4-7(10)8(9)11;3*1-7(2)9-3-4-11-8(5-9)6-10/h6*8-9,12H,4-7H2,1-3H3;3*7-9,11H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3,(H2,9,11);3*7-8,10H,3-6H2,1-2H3/t2*9-;;2*9-;;2*8-;;2*7-;2*8-;/m10.10.10.1010./s1
InChIKeyIJLAVNCWBSKUBZ-GVAXVKNKSA-N
MW2298.51 g/mol
LogP-0.05
Rot. Bonds28

About (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide

(1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 158717030) has the molecular formula C118H257N25O17 and a molecular weight of 2298.51 g/mol. Its IUPAC name is (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID158717030
Molecular FormulaC118H257N25O17
Molecular Weight2298.51 g/mol
Exact Mass2297.00
IUPAC Name(1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1CCC[C@@H]1C(N)=O.CC(C)N1CCC[C@H]1C(N)=O.CC(C)N1CCN(C)C(CO)C1.CC(C)N1CCN(C)CC1CO.CC(C)N1CCN(C)C[C@@H]1CO.CC(C)N1CCN(C)C[C@H]1CO.CC(C)N1CCN(C)[C@@H](CO)C1.CC(C)N1CCN(C)[C@H](CO)C1.CC(C)N1CCNC(CO)C1.CC(C)N1CCN[C@@H](CO)C1.CC(C)N1CCN[C@H](CO)C1.CC(C)N1CCOC(CO)C1.CC(C)N1CCO[C@@H](CO)C1.CC(C)N1CCO[C@H](CO)C1
InChIInChI=1S/6C9H20N2O.3C8H18N2O.2C8H16N2O.3C8H17NO2/c3*1-8(2)11-5-4-10(3)9(6-11)7-12;3*1-8(2)11-5-4-10(3)6-9(11)7-12;3*1-7(2)10-4-3-9-8(5-10)6-11;2*1-6(2)10-5-3-4-7(10)8(9)11;3*1-7(2)9-3-4-11-8(5-9)6-10/h6*8-9,12H,4-7H2,1-3H3;3*7-9,11H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3,(H2,9,11);3*7-8,10H,3-6H2,1-2H3/t2*9-;;2*9-;;2*8-;;2*7-;2*8-;/m10.10.10.1010./s1
InChIKeyIJLAVNCWBSKUBZ-GVAXVKNKSA-N
XLogP-0.05
TPSA457.52 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.51
LogP ≤ 5-0.05
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Analyze (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide (CID 158717030) is (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1CCC[C@@H]1C(N)=O.CC(C)N1CCC[C@H]1C(N)=O.CC(C)N1CCN(C)C(CO)C1.CC(C)N1CCN(C)CC1CO.CC(C)N1CCN(C)C[C@@H]1CO.CC(C)N1CCN(C)C[C@H]1CO.CC(C)N1CCN(C)[C@@H](CO)C1.CC(C)N1CCN(C)[C@H](CO)C1.CC(C)N1CCNC(CO)C1.CC(C)N1CCN[C@@H](CO)C1.CC(C)N1CCN[C@H](CO)C1.CC(C)N1CCOC(CO)C1.CC(C)N1CCO[C@@H](CO)C1.CC(C)N1CCO[C@H](CO)C1.
What is the InChIKey of (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is IJLAVNCWBSKUBZ-GVAXVKNKSA-N. The full InChI is InChI=1S/6C9H20N2O.3C8H18N2O.2C8H16N2O.3C8H17NO2/c3*1-8(2)11-5-4-10(3)9(6-11)7-12;3*1-8(2)11-5-4-10(3)6-9(11)7-12;3*1-7(2)10-4-3-9-8(5-10)6-11;2*1-6(2)10-5-3-4-7(10)8(9)11;3*1-7(2)9-3-4-11-8(5-9)6-10/h6*8-9,12H,4-7H2,1-3H3;3*7-9,11H,3-6H2,1-2H3;2*6-7H,3-5H2,1-2H3,(H2,9,11);3*7-8,10H,3-6H2,1-2H3/t2*9-;;2*9-;;2*8-;;2*7-;2*8-;/m10.10.10.1010./s1.
What are the key properties of (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide?
(1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 2298.51 g/mol, XLogP of -0.05, 28 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-propan-2-ylpiperazin-2-yl)methanol;[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;[(2S)-4-methyl-1-propan-2-ylpiperazin-2-yl]methanol;(4-methyl-1-propan-2-ylpiperazin-2-yl)methanol;[(2S)-4-propan-2-ylmorpholin-2-yl]methanol;[(2R)-4-propan-2-ylmorpholin-2-yl]methanol;(4-propan-2-ylmorpholin-2-yl)methanol;[(2S)-4-propan-2-ylpiperazin-2-yl]methanol;[(2R)-4-propan-2-ylpiperazin-2-yl]methanol;(4-propan-2-ylpiperazin-2-yl)methanol;(2S)-1-propan-2-ylpyrrolidine-2-carboxamide;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 158717030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).