2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol

C17H34N2O — CID 83998440

IUPAC2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
SMILESCC(C)N1CC(CCO)CC(NCC2CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)19-12-16(8-9-20)10-17(13-19)18-11-15-6-4-3-5-7-15/h14-18,20H,3-13H2,1-2H3
InChIKeyVKRXEZJPEHFHSY-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds6

About 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol

2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol (PubChem CID 83998440) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
PubChem CID83998440
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
SMILESCC(C)N1CC(CCO)CC(NCC2CCCCC2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)19-12-16(8-9-20)10-17(13-19)18-11-15-6-4-3-5-7-15/h14-18,20H,3-13H2,1-2H3
InChIKeyVKRXEZJPEHFHSY-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
1-[5-(cyclobutylmethylamino)-1-propan-2-ylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997066
3-[5-(cyclobutylmethylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]propan-1-ol
CID 83997394
2-[1-cyclobutyl-5-(cyclobutylmethylamino)piperidin-3-yl]ethanol
CID 83997337
3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83998736
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
2-[5-(cyclopropylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83996660
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
N-(cyclopentylmethyl)-1-(1-cyclopropylpropyl)-5-propylpiperidin-3-amine
CID 83998092
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
1-butan-2-yl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997264

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol (CID 83998440) is 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol is CC(C)N1CC(CCO)CC(NCC2CCCCC2)C1.
What is the InChIKey of 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol?
The InChIKey is VKRXEZJPEHFHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)19-12-16(8-9-20)10-17(13-19)18-11-15-6-4-3-5-7-15/h14-18,20H,3-13H2,1-2H3.
What are the key properties of 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol?
2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylmethylamino)-1-propan-2-ylpiperidin-3-yl]ethanol is sourced from PubChem (CID 83998440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).