[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol

C13H20N2O — CID 115032227

IUPAC[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol
SMILESNCc1ccccc1C(O)C1CCCNC1
InChIInChI=1S/C13H20N2O/c14-8-10-4-1-2-6-12(10)13(16)11-5-3-7-15-9-11/h1-2,4,6,11,13,15-16H,3,5,7-9,14H2
InChIKeyJCAJTDCKYFSPJR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.18
Rot. Bonds3

About [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol

[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol (PubChem CID 115032227) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol
PubChem CID115032227
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol
SMILESNCc1ccccc1C(O)C1CCCNC1
InChIInChI=1S/C13H20N2O/c14-8-10-4-1-2-6-12(10)13(16)11-5-3-7-15-9-11/h1-2,4,6,11,13,15-16H,3,5,7-9,14H2
InChIKeyJCAJTDCKYFSPJR-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol
CID 115032230
2-[hydroxy(piperidin-3-yl)methyl]benzaldehyde
CID 115031452
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
[2-(aminomethyl)phenyl]-(1,1-dioxothian-3-yl)methanol
CID 115050236
[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040399
[2-[cyclopentyl(fluoro)methyl]phenyl]methanamine
CID 115025382
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
1-piperidin-3-yl-2-pyridin-2-ylethanol
CID 80560318
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
3-amino-1-piperidin-3-ylpropan-1-ol
CID 82596067

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol?
The IUPAC name of [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol (CID 115032227) is [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol.
What is the SMILES notation for [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol?
The canonical SMILES for [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol is NCc1ccccc1C(O)C1CCCNC1.
What is the InChIKey of [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol?
The InChIKey is JCAJTDCKYFSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-8-10-4-1-2-6-12(10)13(16)11-5-3-7-15-9-11/h1-2,4,6,11,13,15-16H,3,5,7-9,14H2.
What are the key properties of [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol?
[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol has a molecular weight of 220.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]-piperidin-3-ylmethanol is sourced from PubChem (CID 115032227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).