1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol

C17H34N2O — CID 83996988

IUPAC1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
SMILESCCCN1CC(CC(O)CC)CC(NCC2CCC2)C1
InChIInChI=1S/C17H34N2O/c1-3-8-19-12-15(10-17(20)4-2)9-16(13-19)18-11-14-6-5-7-14/h14-18,20H,3-13H2,1-2H3
InChIKeyIKYJEKUZFGMDGN-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds8

About 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol

1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol (PubChem CID 83996988) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
PubChem CID83996988
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
SMILESCCCN1CC(CC(O)CC)CC(NCC2CCC2)C1
InChIInChI=1S/C17H34N2O/c1-3-8-19-12-15(10-17(20)4-2)9-16(13-19)18-11-14-6-5-7-14/h14-18,20H,3-13H2,1-2H3
InChIKeyIKYJEKUZFGMDGN-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

1-[1-(2-aminoethyl)-5-(cyclopentylmethylamino)piperidin-3-yl]butan-2-ol
CID 83998265
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
1-[1-(2-aminoethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996881
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653
N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83996991
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[5-(cyclopropylmethylamino)-1-propylpiperidin-3-yl]propan-1-ol
CID 83996295
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
1-[1-(cyclopropylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992539
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol (CID 83996988) is 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol is CCCN1CC(CC(O)CC)CC(NCC2CCC2)C1.
What is the InChIKey of 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol?
The InChIKey is IKYJEKUZFGMDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-8-19-12-15(10-17(20)4-2)9-16(13-19)18-11-14-6-5-7-14/h14-18,20H,3-13H2,1-2H3.
What are the key properties of 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol?
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83996988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).