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

C17H27N3 — CID 828666

IUPAC1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESC[C@H]1CCC[C@@H](N2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C17H27N3/c1-15-4-2-6-17(12-15)20-10-8-19(9-11-20)14-16-5-3-7-18-13-16/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3/t15-,17+/m0/s1
InChIKeyQUPQDKOKZREOSB-DOTOQJQBSA-N
MW273.42 g/mol
LogP2.78
Rot. Bonds3

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

1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 828666) 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-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID828666
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESC[C@H]1CCC[C@@H](N2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C17H27N3/c1-15-4-2-6-17(12-15)20-10-8-19(9-11-20)14-16-5-3-7-18-13-16/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3/t15-,17+/m0/s1
InChIKeyQUPQDKOKZREOSB-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-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 786304
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
1-[(3-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 7108986
3-[[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]methyl]pyridine
CID 2911232
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-2-ylmethyl)piperazine
CID 787081
1,4-dimethylpiperazine;1,3-dimethylpyrrolidine;1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 167693775
1-[(2-bromophenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1360754
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
oxalic acid;1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]azepane
CID 2912313
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine (CID 828666) is 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine is C[C@H]1CCC[C@@H](N2CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is QUPQDKOKZREOSB-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H27N3/c1-15-4-2-6-17(12-15)20-10-8-19(9-11-20)14-16-5-3-7-18-13-16/h3,5,7,13,15,17H,2,4,6,8-12,14H2,1H3/t15-,17+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine?
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-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-3-ylmethyl)piperazine is sourced from PubChem (CID 828666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).