1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol

C17H28N2O — CID 64820712

IUPAC1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)(CN)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-2-6-15-9-11-19(12-10-15)14-17(20,13-18)16-7-4-3-5-8-16/h3-5,7-8,15,20H,2,6,9-14,18H2,1H3
InChIKeyMERMZCWOIRXVGM-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.35
Rot. Bonds6

About 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol

1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol (PubChem CID 64820712) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
PubChem CID64820712
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
SMILESCCCC1CCN(CC(O)(CN)c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-2-6-15-9-11-19(12-10-15)14-17(20,13-18)16-7-4-3-5-8-16/h3-5,7-8,15,20H,2,6,9-14,18H2,1H3
InChIKeyMERMZCWOIRXVGM-UHFFFAOYSA-N
XLogP2.35
TPSA49.49 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 64821785
1-amino-2-phenyl-3-(3-propoxypiperidin-1-yl)propan-2-ol
CID 64819801
1-amino-2-methyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820487
1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
CID 103540867
N,2-dimethyl-2-phenyl-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62257926
1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 64818557
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol
CID 116695809
1-benzyl-3-propylpyrrolidine
CID 12648211
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
benzene;ethane;1-ethyl-4-propylpiperidine
CID 90839666
1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol (CID 64820712) is 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol is CCCC1CCN(CC(O)(CN)c2ccccc2)CC1.
What is the InChIKey of 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
The InChIKey is MERMZCWOIRXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-6-15-9-11-19(12-10-15)14-17(20,13-18)16-7-4-3-5-8-16/h3-5,7-8,15,20H,2,6,9-14,18H2,1H3.
What are the key properties of 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol?
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 64820712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).