1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne

C17H33NO — CID 143571161

IUPAC1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
SMILESC#CC.C1CCC(CN2CCCCC2)CC1.CCO
InChIInChI=1S/C12H23N.C3H4.C2H6O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-2;1-2-3/h12H,1-11H2;1H,2H3;3H,2H2,1H3
InChIKeyZIYSILMSMLORBO-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.69
Rot. Bonds2

About 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne

1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne (PubChem CID 143571161) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne.

Molecular Properties

Compound Name1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
PubChem CID143571161
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne
SMILESC#CC.C1CCC(CN2CCCCC2)CC1.CCO
InChIInChI=1S/C12H23N.C3H4.C2H6O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-2;1-2-3/h12H,1-11H2;1H,2H3;3H,2H2,1H3
InChIKeyZIYSILMSMLORBO-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-(cyclobutylmethyl)azetidine
CID 89347168
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 99639323
1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine
CID 142354921
4-(cyclohexylmethyl)morpholine
CID 641545
4-(piperidin-1-ylmethyl)cyclohexan-1-amine;hydrochloride
CID 175029660

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne?
The IUPAC name of 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne (CID 143571161) is 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne.
What is the SMILES notation for 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne?
The canonical SMILES for 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne is C#CC.C1CCC(CN2CCCCC2)CC1.CCO.
What is the InChIKey of 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne?
The InChIKey is ZIYSILMSMLORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C3H4.C2H6O/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-2;1-2-3/h12H,1-11H2;1H,2H3;3H,2H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne?
1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne has a molecular weight of 267.46 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)piperidine;ethanol;prop-1-yne is sourced from PubChem (CID 143571161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).