1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

C17H28ClN3 — CID 120768179

IUPAC1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCC1CCCCC1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C17H27N3.ClH/c1-14-5-2-3-6-16(14)13-20-10-9-19-12-17(20)15-7-4-8-18-11-15;/h4,7-8,11,14,16-17,19H,2-3,5-6,9-10,12-13H2,1H3;1H
InChIKeySWYBDRKMVFJAPO-UHFFFAOYSA-N
MW309.88 g/mol
LogP3.28
Rot. Bonds3

About 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120768179) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120768179
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCC1CCCCC1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C17H27N3.ClH/c1-14-5-2-3-6-16(14)13-20-10-9-19-12-17(20)15-7-4-8-18-11-15;/h4,7-8,11,14,16-17,19H,2-3,5-6,9-10,12-13H2,1H3;1H
InChIKeySWYBDRKMVFJAPO-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754690
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
N-methyl-N-(4-methylcyclohexyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754378
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
N,N-diethyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120869682
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120768179) is 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is CC1CCCCC1CN1CCNCC1c1cccnc1.Cl.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is SWYBDRKMVFJAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3.ClH/c1-14-5-2-3-6-16(14)13-20-10-9-19-12-17(20)15-7-4-8-18-11-15;/h4,7-8,11,14,16-17,19H,2-3,5-6,9-10,12-13H2,1H3;1H.
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120768179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).