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

C14H22N2O — CID 115040388

IUPAC[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
SMILESCN1CCCC(C(O)c2cccc(CN)c2)C1
InChIInChI=1S/C14H22N2O/c1-16-7-3-6-13(10-16)14(17)12-5-2-4-11(8-12)9-15/h2,4-5,8,13-14,17H,3,6-7,9-10,15H2,1H3
InChIKeyVJCVUSHMNAFHTR-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.52
Rot. Bonds3

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

[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol (PubChem CID 115040388) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
PubChem CID115040388
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
SMILESCN1CCCC(C(O)c2cccc(CN)c2)C1
InChIInChI=1S/C14H22N2O/c1-16-7-3-6-13(10-16)14(17)12-5-2-4-11(8-12)9-15/h2,4-5,8,13-14,17H,3,6-7,9-10,15H2,1H3
InChIKeyVJCVUSHMNAFHTR-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-[hydroxy-(1-methylpiperidin-3-yl)methyl]benzoic acid
CID 83856040
[2-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040399
4-[hydroxy-(1-methylpiperidin-3-yl)methyl]phenol
CID 83855822
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
(R)-(1-benzylpiperidin-3-yl)-phenylmethanol
CID 146542509
N-[[3-(aminomethyl)phenyl]methyl]-2-(1-methylpiperidin-3-yl)ethanamine
CID 115213074
3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
CID 105495145
3-[1-[1-(1-methylpiperidin-3-yl)ethylamino]ethyl]phenol
CID 43748459
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
4-[amino-(1-methylpiperidin-3-yl)methyl]aniline
CID 116936840
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
The IUPAC name of [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol (CID 115040388) is [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol is CN1CCCC(C(O)c2cccc(CN)c2)C1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
The InChIKey is VJCVUSHMNAFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-7-3-6-13(10-16)14(17)12-5-2-4-11(8-12)9-15/h2,4-5,8,13-14,17H,3,6-7,9-10,15H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol?
[3-(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 [3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 115040388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).