2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol

C14H22N2O — CID 154114930

IUPAC2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
SMILESCC(CO)c1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C14H22N2O/c1-11(10-17)12-5-6-14(13(15)9-12)16-7-3-2-4-8-16/h5-6,9,11,17H,2-4,7-8,10,15H2,1H3
InChIKeyVSPKIIXAIKJCCG-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.35
Rot. Bonds3

About 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol

2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol (PubChem CID 154114930) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
PubChem CID154114930
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol
SMILESCC(CO)c1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C14H22N2O/c1-11(10-17)12-5-6-14(13(15)9-12)16-7-3-2-4-8-16/h5-6,9,11,17H,2-4,7-8,10,15H2,1H3
InChIKeyVSPKIIXAIKJCCG-UHFFFAOYSA-N
XLogP2.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-2-piperidin-1-ylphenyl)propan-1-ol
CID 117339041
(3-amino-4-pyrrolidin-1-ylphenyl)methanol
CID 94830386
5-(aminomethyl)-2-piperidin-1-ylaniline
CID 82506966
1-[2-chloro-4-(1-hydroxypropan-2-yl)phenyl]piperidin-3-one
CID 154126949
2-morpholin-4-yl-5-propan-2-ylaniline
CID 22752981
N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
CID 91676092
3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide
CID 154280149
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol?
The IUPAC name of 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol (CID 154114930) is 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol is CC(CO)c1ccc(N2CCCCC2)c(N)c1.
What is the InChIKey of 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol?
The InChIKey is VSPKIIXAIKJCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(10-17)12-5-6-14(13(15)9-12)16-7-3-2-4-8-16/h5-6,9,11,17H,2-4,7-8,10,15H2,1H3.
What are the key properties of 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol?
2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-piperidin-1-ylphenyl)propan-1-ol is sourced from PubChem (CID 154114930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).