(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol

C72H154N10O3 — CID 161061355

IUPAC(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol
SMILESCC(C)N1CCCCC[C@H]1C.CC(C)N1CCCC[C@@H](C)C1.CC(C)N1CCCC[C@H]1CO.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCOC[C@H]1C.CC(C)N1CCO[C@@H](C)C1
InChIInChI=1S/2C10H21N.2C9H20N2.C9H19NO.C9H19N.2C8H17NO/c1-9(2)11-7-5-4-6-10(3)8-11;1-9(2)11-8-6-4-5-7-10(11)3;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)11-6-5-10(4)7-9(11)3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9/h2*9-10H,4-8H2,1-3H3;2*8-9H,5-7H2,1-4H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3/t2*10-;4*9-;2*8-/m11010110/s1
InChIKeyUDLAPFWBNCYCJV-RIQOZHGUSA-N
MW1208.09 g/mol
LogP12.84
Rot. Bonds9

About (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol

(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol (PubChem CID 161061355) has the molecular formula C72H154N10O3 and a molecular weight of 1208.09 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol
PubChem CID161061355
Molecular FormulaC72H154N10O3
Molecular Weight1208.09 g/mol
Exact Mass1207.22
IUPAC Name(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol
SMILESCC(C)N1CCCCC[C@H]1C.CC(C)N1CCCC[C@@H](C)C1.CC(C)N1CCCC[C@H]1CO.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCOC[C@H]1C.CC(C)N1CCO[C@@H](C)C1
InChIInChI=1S/2C10H21N.2C9H20N2.C9H19NO.C9H19N.2C8H17NO/c1-9(2)11-7-5-4-6-10(3)8-11;1-9(2)11-8-6-4-5-7-10(11)3;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)11-6-5-10(4)7-9(11)3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9/h2*9-10H,4-8H2,1-3H3;2*8-9H,5-7H2,1-4H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3/t2*10-;4*9-;2*8-/m11010110/s1
InChIKeyUDLAPFWBNCYCJV-RIQOZHGUSA-N
XLogP12.84
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001208.09
LogP ≤ 512.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol?
The IUPAC name of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol (CID 161061355) is (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol.
What is the SMILES notation for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol?
The canonical SMILES for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol is CC(C)N1CCCCC[C@H]1C.CC(C)N1CCCC[C@@H](C)C1.CC(C)N1CCCC[C@H]1CO.CC(C)N1CCC[C@@H](C)C1.CC(C)N1CCN(C)C[C@H]1C.CC(C)N1CCN(C)[C@@H](C)C1.CC(C)N1CCOC[C@H]1C.CC(C)N1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol?
The InChIKey is UDLAPFWBNCYCJV-RIQOZHGUSA-N. The full InChI is InChI=1S/2C10H21N.2C9H20N2.C9H19NO.C9H19N.2C8H17NO/c1-9(2)11-7-5-4-6-10(3)8-11;1-9(2)11-8-6-4-5-7-10(11)3;1-8(2)11-6-5-10(4)9(3)7-11;1-8(2)11-6-5-10(4)7-9(11)3;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)10-6-4-5-9(3)7-10;1-7(2)9-4-5-10-6-8(9)3;1-7(2)9-4-5-10-8(3)6-9/h2*9-10H,4-8H2,1-3H3;2*8-9H,5-7H2,1-4H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3/t2*10-;4*9-;2*8-/m11010110/s1.
What are the key properties of (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol?
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol has a molecular weight of 1208.09 g/mol, XLogP of 12.84, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(2R)-2,4-dimethyl-1-propan-2-ylpiperazine;(2R)-2-methyl-1-propan-2-ylazepane;(3R)-3-methyl-1-propan-2-ylazepane;(2S)-2-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-4-propan-2-ylmorpholine;(3R)-3-methyl-1-propan-2-ylpiperidine;[(2S)-1-propan-2-ylpiperidin-2-yl]methanol is sourced from PubChem (CID 161061355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).