2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol

C14H22N2O — CID 107227081

IUPAC2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(N2CCCC(CCO)C2)cc1
InChIInChI=1S/C14H22N2O/c15-10-12-3-5-14(6-4-12)16-8-1-2-13(11-16)7-9-17/h3-6,13,17H,1-2,7-11,15H2
InChIKeyFGAHVNRDMIRDGK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.74
Rot. Bonds4

About 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol

2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol (PubChem CID 107227081) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
PubChem CID107227081
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
SMILESNCc1ccc(N2CCCC(CCO)C2)cc1
InChIInChI=1S/C14H22N2O/c15-10-12-3-5-14(6-4-12)16-8-1-2-13(11-16)7-9-17/h3-6,13,17H,1-2,7-11,15H2
InChIKeyFGAHVNRDMIRDGK-UHFFFAOYSA-N
XLogP1.74
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098
2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
[4-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 83854012
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107226950
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol (CID 107227081) is 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol is NCc1ccc(N2CCCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol?
The InChIKey is FGAHVNRDMIRDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-10-12-3-5-14(6-4-12)16-8-1-2-13(11-16)7-9-17/h3-6,13,17H,1-2,7-11,15H2.
What are the key properties of 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol?
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).