3-(2-amino-1-phenylethyl)piperidin-4-ol

C13H20N2O — CID 68810626

IUPAC3-(2-amino-1-phenylethyl)piperidin-4-ol
SMILESNCC(c1ccccc1)C1CNCCC1O
InChIInChI=1S/C13H20N2O/c14-8-11(10-4-2-1-3-5-10)12-9-15-7-6-13(12)16/h1-5,11-13,15-16H,6-9,14H2
InChIKeyDDSNMRXQEPGTHS-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.70
Rot. Bonds3

About 3-(2-amino-1-phenylethyl)piperidin-4-ol

3-(2-amino-1-phenylethyl)piperidin-4-ol (PubChem CID 68810626) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(2-amino-1-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-(2-amino-1-phenylethyl)piperidin-4-ol
PubChem CID68810626
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(2-amino-1-phenylethyl)piperidin-4-ol
SMILESNCC(c1ccccc1)C1CNCCC1O
InChIInChI=1S/C13H20N2O/c14-8-11(10-4-2-1-3-5-10)12-9-15-7-6-13(12)16/h1-5,11-13,15-16H,6-9,14H2
InChIKeyDDSNMRXQEPGTHS-UHFFFAOYSA-N
XLogP0.70
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
trans-(1S,2R)-2-[(1R)-2-amino-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 70440886
(1S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cyclohexan-1-ol
CID 70378314
cis-(1S,2S)-2-[(1R)-2-amino-1-(4-chlorophenyl)ethyl]cycloheptan-1-ol
CID 57084469
2-cyclopropyl-2-phenylethanamine;hydrochloride
CID 57365234
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
4-benzhydryl-3-methylpiperidine
CID 56617151
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
(2R)-2-(4,4-dimethylcyclohexyl)-2-phenylethanamine
CID 121454644
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114
3-amino-N-(4-methylpiperidin-3-yl)-3-phenylpropanamide
CID 122081114

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-phenylethyl)piperidin-4-ol?
The IUPAC name of 3-(2-amino-1-phenylethyl)piperidin-4-ol (CID 68810626) is 3-(2-amino-1-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 3-(2-amino-1-phenylethyl)piperidin-4-ol?
The canonical SMILES for 3-(2-amino-1-phenylethyl)piperidin-4-ol is NCC(c1ccccc1)C1CNCCC1O.
What is the InChIKey of 3-(2-amino-1-phenylethyl)piperidin-4-ol?
The InChIKey is DDSNMRXQEPGTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-8-11(10-4-2-1-3-5-10)12-9-15-7-6-13(12)16/h1-5,11-13,15-16H,6-9,14H2.
What are the key properties of 3-(2-amino-1-phenylethyl)piperidin-4-ol?
3-(2-amino-1-phenylethyl)piperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 68810626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).