[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol

C14H22N2O — CID 115040399

IUPAC[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
SMILESCN1CCCC(C(O)c2ccccc2CN)C1
InChIInChI=1S/C14H22N2O/c1-16-8-4-6-12(10-16)14(17)13-7-3-2-5-11(13)9-15/h2-3,5,7,12,14,17H,4,6,8-10,15H2,1H3
InChIKeyKJLXHWFDKZIEOX-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.52
Rot. Bonds3

About [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol

[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol (PubChem CID 115040399) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
PubChem CID115040399
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
SMILESCN1CCCC(C(O)c2ccccc2CN)C1
InChIInChI=1S/C14H22N2O/c1-16-8-4-6-12(10-16)14(17)13-7-3-2-5-11(13)9-15/h2-3,5,7,12,14,17H,4,6,8-10,15H2,1H3
InChIKeyKJLXHWFDKZIEOX-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040388
[2-(aminomethyl)phenyl]-(1,1-dioxothian-3-yl)methanol
CID 115050236
[2-(aminomethyl)phenyl]-piperidin-3-ylmethanol
CID 115032227
2-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 115031027
4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
CID 83855822
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222385
[2-(1-methylazepan-4-yl)phenyl]methanamine
CID 83836854
3-[hydroxy-(1-methylpiperidin-3-yl)methyl]benzoic acid
CID 83856040
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
N-[2-(aminomethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 82506999
(2-propan-2-ylphenyl)methanamine
CID 15040708

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
The IUPAC name of [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol (CID 115040399) is [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol is CN1CCCC(C(O)c2ccccc2CN)C1.
What is the InChIKey of [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
The InChIKey is KJLXHWFDKZIEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-8-4-6-12(10-16)14(17)13-7-3-2-5-11(13)9-15/h2-3,5,7,12,14,17H,4,6,8-10,15H2,1H3.
What are the key properties of [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol has a molecular weight of 234.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 115040399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).