1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol

C14H22N2O — CID 114678032

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cccc(CN)c2)CCC1O
InChIInChI=1S/C14H22N2O/c1-11-9-16(6-5-14(11)17)10-13-4-2-3-12(7-13)8-15/h2-4,7,11,14,17H,5-6,8-10,15H2,1H3
InChIKeyQVTQOAYSTUXSBH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.35
Rot. Bonds3

About 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol

1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol (PubChem CID 114678032) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
PubChem CID114678032
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cccc(CN)c2)CCC1O
InChIInChI=1S/C14H22N2O/c1-11-9-16(6-5-14(11)17)10-13-4-2-3-12(7-13)8-15/h2-4,7,11,14,17H,5-6,8-10,15H2,1H3
InChIKeyQVTQOAYSTUXSBH-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
1-[[3-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpiperidin-4-ol
CID 114681109
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-N,N-dimethylbenzenesulfonamide
CID 114681418
[3-[(3-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 102956590
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-methylpiperidin-4-ol
CID 114678058
[3-[(4-methylsulfanylazepan-1-yl)methyl]phenyl]methanamine
CID 114236668
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
1-[(4-amino-3-nitrophenyl)methyl]-3-methylpiperidin-4-ol
CID 114681747
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol (CID 114678032) is 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2cccc(CN)c2)CCC1O.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol?
The InChIKey is QVTQOAYSTUXSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-9-16(6-5-14(11)17)10-13-4-2-3-12(7-13)8-15/h2-4,7,11,14,17H,5-6,8-10,15H2,1H3.
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol?
1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114678032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).