1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol

C16H32N2O — CID 83997612

IUPAC1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CCCC2)CN(C)C1
InChIInChI=1S/C16H32N2O/c1-3-16(19)9-14-8-15(12-18(2)11-14)17-10-13-6-4-5-7-13/h13-17,19H,3-12H2,1-2H3
InChIKeyBVOIMAWWXBUMSM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds6

About 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol

1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol (PubChem CID 83997612) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
PubChem CID83997612
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC2CCCC2)CN(C)C1
InChIInChI=1S/C16H32N2O/c1-3-16(19)9-14-8-15(12-18(2)11-14)17-10-13-6-4-5-7-13/h13-17,19H,3-12H2,1-2H3
InChIKeyBVOIMAWWXBUMSM-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-methylpiperidin-3-amine
CID 83998283
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol (CID 83997612) is 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC2CCCC2)CN(C)C1.
What is the InChIKey of 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol?
The InChIKey is BVOIMAWWXBUMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-16(19)9-14-8-15(12-18(2)11-14)17-10-13-6-4-5-7-13/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol?
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83997612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).