2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol

C17H28N2O — CID 62374506

IUPAC2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
SMILESCCCN1CCC(NCC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-11-19-12-9-16(10-13-19)18-14-17(2,20)15-7-5-4-6-8-15/h4-8,16,18,20H,3,9-14H2,1-2H3
InChIKeyLZXFKJIZUDXWMW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds6

About 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol

2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 62374506) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
PubChem CID62374506
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
SMILESCCCN1CCC(NCC(C)(O)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-3-11-19-12-9-16(10-13-19)18-14-17(2,20)15-7-5-4-6-8-15/h4-8,16,18,20H,3,9-14H2,1-2H3
InChIKeyLZXFKJIZUDXWMW-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
CID 110021905
2-methyl-1-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-2-ol
CID 63239768
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 111466864
N-(3,3-diphenylpropyl)-1-propylpiperidin-4-amine
CID 2846321
2-methyl-4-[(1-propylpiperidin-4-yl)amino]butan-2-ol
CID 79361096
N-(2-methyl-2-phenylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103777348
1-(cyclopropylamino)-2-phenylpentan-2-ol
CID 62774377
(2R)-2-(4-fluorophenyl)-1-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propan-2-ol
CID 97108511
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843
1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
CID 104589300
N-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzamide;bis(2,2,2-trifluoroacetic acid)
CID 25010817

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol (CID 62374506) is 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol is CCCN1CCC(NCC(C)(O)c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is LZXFKJIZUDXWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-11-19-12-9-16(10-13-19)18-14-17(2,20)15-7-5-4-6-8-15/h4-8,16,18,20H,3,9-14H2,1-2H3.
What are the key properties of 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol?
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 62374506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).