1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine

C17H27N3 — CID 787081

IUPAC1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESC[C@H]1CCC[C@@H](N2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C17H27N3/c1-15-5-4-7-17(13-15)20-11-9-19(10-12-20)14-16-6-2-3-8-18-16/h2-3,6,8,15,17H,4-5,7,9-14H2,1H3/t15-,17+/m0/s1
InChIKeyQUJMCKIWJMBVEL-DOTOQJQBSA-N
MW273.42 g/mol
LogP2.78
Rot. Bonds3

About 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine

1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine (PubChem CID 787081) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
PubChem CID787081
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
SMILESC[C@H]1CCC[C@@H](N2CCN(Cc3ccccn3)CC2)C1
InChIInChI=1S/C17H27N3/c1-15-5-4-7-17(13-15)20-11-9-19(10-12-20)14-16-6-2-3-8-18-16/h2-3,6,8,15,17H,4-5,7,9-14H2,1H3/t15-,17+/m0/s1
InChIKeyQUJMCKIWJMBVEL-DOTOQJQBSA-N
XLogP2.78
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
1-[(2-bromophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1360754
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
2-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 762879
1-[(3-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 7108986
1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 2879992
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134055432
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 784145
1-(3-methylcyclohexyl)-4-(naphthalen-1-ylmethyl)piperazine;oxalic acid
CID 90483361
1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 786304
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine (CID 787081) is 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine is C[C@H]1CCC[C@@H](N2CCN(Cc3ccccn3)CC2)C1.
What is the InChIKey of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine?
The InChIKey is QUJMCKIWJMBVEL-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H27N3/c1-15-5-4-7-17(13-15)20-11-9-19(10-12-20)14-16-6-2-3-8-18-16/h2-3,6,8,15,17H,4-5,7,9-14H2,1H3/t15-,17+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine?
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 787081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).