(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine

C105H226N18 — CID 161315852

IUPAC(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)[C@@H]1C.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H]2C[C@H]1CN2C(C)C.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1
InChIInChI=1S/6C12H26N2.C11H22N2.2C11H24N2/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6*9-12H,7-8H2,1-6H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3/t2*11-,12+;2*11-,12-;11-,12+;11-,12-;10-,11-;2*11-/m..10.0010/s1
InChIKeyVJMDVVQQYAYLQA-KNUOEBCMSA-N
MW1741.09 g/mol
LogP18.37
Rot. Bonds18

About (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine

(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine (PubChem CID 161315852) has the molecular formula C105H226N18 and a molecular weight of 1741.09 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine
PubChem CID161315852
Molecular FormulaC105H226N18
Molecular Weight1741.09 g/mol
Exact Mass1739.82
IUPAC Name(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine
SMILESCC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)[C@@H]1C.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H]2C[C@H]1CN2C(C)C.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1
InChIInChI=1S/6C12H26N2.C11H22N2.2C11H24N2/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6*9-12H,7-8H2,1-6H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3/t2*11-,12+;2*11-,12-;11-,12+;11-,12-;10-,11-;2*11-/m..10.0010/s1
InChIKeyVJMDVVQQYAYLQA-KNUOEBCMSA-N
XLogP18.37
TPSA58.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001741.09
LogP ≤ 518.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(4-Methylpiperazin-1-yl)ethyl]-5-[2-(2,4,5-trimethylpiperazin-1-yl)ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 123807053
1-Methyl-2-(piperidin-1-ylmethyl)piperidine;1-[(1-methylpyrrolidin-2-yl)methyl]piperidine;1-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
CID 143456779
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
CID 157291580
Carbanide;2,5-dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);tungsten(2+)
CID 157415417
2,2-dimethyl-1-propan-2-ylpiperazine;2,3-dimethyl-1-propan-2-ylpiperazine;(2S,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperazine;3,5-dimethyl-1-propan-2-ylpiperazine;(2S)-2-methyl-1-propan-2-ylpiperazine;(3R)-3-methyl-1-propan-2-ylpiperazine;2-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-propan-2-ylpiperazine
CID 157528600
2,5-Dimethyl-2,5-diazabicyclo[2.2.1]heptane;bis(3,6-dimethyl-3,6-diazabicyclo[3.1.1]heptane);methane
CID 157582080
Tris(1-tert-butylpiperidine);1-tert-butylpyrrolidine;methane;tris(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)pyrrolidine
CID 158124161
1,4-diethylpiperazine;1-ethyl-N,N-dimethylpiperidin-3-amine;1-ethyl-N,N-dimethylpiperidin-4-amine;1-ethyl-N,N-dimethylpyrrolidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-3-amine;1-ethyl-N,N-di(propan-2-yl)piperidin-4-amine;1-ethyl-N,N-di(propan-2-yl)pyrrolidin-3-amine;1-ethyl-N,N-dipropylpiperidin-3-amine;1-ethyl-N,N-dipropylpiperidin-4-amine;1-ethyl-N,N-dipropylpyrrolidin-3-amine;1-ethyl-4-methylpiperazine;1-ethyl-4-propan-2-ylpiperazine;N,N,1-triethylpiperidin-3-amine;N,N,1-triethylpiperidin-4-amine;N,N,1-triethylpyrrolidin-3-amine
CID 158143071
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;(3R)-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;1-methyl-4-propan-2-ylpiperazine;bis((2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine)
CID 158333106
1-tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;(2R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;(2S)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2-methylpiperazine;1-tert-butyl-4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperazine
CID 158499748
4-Tert-butyl-1,2-dimethylpiperazine;2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;bis(1-tert-butyl-4-methylpiperazine)
CID 158526159
1,4-Di(propan-2-yl)piperazine;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158835822

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine?
The IUPAC name of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine (CID 161315852) is (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine.
What is the SMILES notation for (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine?
The canonical SMILES for (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine is CC(C)N1CCN(C(C)C)[C@@H](C)C1.CC(C)N1CCN(C(C)C)[C@@H](C)[C@@H]1C.CC(C)N1CCN(C(C)C)[C@@H](C)[C@H]1C.CC(C)N1CCN(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.CC(C)N1C[C@@H](C)N(C(C)C)[C@H](C)C1.CC(C)N1C[C@@H]2C[C@H]1CN2C(C)C.CC(C)N1C[C@H](C)N(C(C)C)[C@@H](C)C1.
What is the InChIKey of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine?
The InChIKey is VJMDVVQQYAYLQA-KNUOEBCMSA-N. The full InChI is InChI=1S/6C12H26N2.C11H22N2.2C11H24N2/c4*1-9(2)13-7-11(5)14(10(3)4)12(6)8-13;2*1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)12-6-11-5-10(12)7-13(11)9(3)4;2*1-9(2)12-6-7-13(10(3)4)11(5)8-12/h6*9-12H,7-8H2,1-6H3;8-11H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3/t2*11-,12+;2*11-,12-;11-,12+;11-,12-;10-,11-;2*11-/m..10.0010/s1.
What are the key properties of (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine?
(2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine has a molecular weight of 1741.09 g/mol, XLogP of 18.37, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,3S)-2,3-dimethyl-1,4-di(propan-2-yl)piperazine;(2S,6S)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;(2R,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine;bis((2S,6R)-2,6-dimethyl-1,4-di(propan-2-yl)piperazine);(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(2S)-2-methyl-1,4-di(propan-2-yl)piperazine;(2R)-2-methyl-1,4-di(propan-2-yl)piperazine is sourced from PubChem (CID 161315852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).