1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol

C16H32N2O — CID 83991508

IUPAC1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
SMILESCCCN1CC(CC(O)C(C)C)CC(NC2CC2)C1
InChIInChI=1S/C16H32N2O/c1-4-7-18-10-13(9-16(19)12(2)3)8-15(11-18)17-14-5-6-14/h12-17,19H,4-11H2,1-3H3
InChIKeyLIEJDEWPPFHLLD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds7

About 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol

1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol (PubChem CID 83991508) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
PubChem CID83991508
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
SMILESCCCN1CC(CC(O)C(C)C)CC(NC2CC2)C1
InChIInChI=1S/C16H32N2O/c1-4-7-18-10-13(9-16(19)12(2)3)8-15(11-18)17-14-5-6-14/h12-17,19H,4-11H2,1-3H3
InChIKeyLIEJDEWPPFHLLD-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-cyclopropyl-2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83991509
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765
1-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83994194
3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
CID 83990804
2-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]ethanol
CID 83991999
ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
CID 83991501
5-butyl-N-cyclohexyl-1-propylpiperidin-3-amine
CID 83999048
1-[5-(ethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83990235
1-[1-(2-aminoethyl)-5-(2,2-difluoroethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83993425
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543038

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol (CID 83991508) is 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol is CCCN1CC(CC(O)C(C)C)CC(NC2CC2)C1.
What is the InChIKey of 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol?
The InChIKey is LIEJDEWPPFHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-7-18-10-13(9-16(19)12(2)3)8-15(11-18)17-14-5-6-14/h12-17,19H,4-11H2,1-3H3.
What are the key properties of 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol?
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 83991508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).