3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol

C13H20N2O — CID 82616502

IUPAC3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol
SMILESCC1CC(c2cccc(O)c2)C(CN)CN1
InChIInChI=1S/C13H20N2O/c1-9-5-13(11(7-14)8-15-9)10-3-2-4-12(16)6-10/h2-4,6,9,11,13,15-16H,5,7-8,14H2,1H3
InChIKeyOIAKASHTIRTEPM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.43
Rot. Bonds2

About 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol

3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol (PubChem CID 82616502) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol
PubChem CID82616502
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol
SMILESCC1CC(c2cccc(O)c2)C(CN)CN1
InChIInChI=1S/C13H20N2O/c1-9-5-13(11(7-14)8-15-9)10-3-2-4-12(16)6-10/h2-4,6,9,11,13,15-16H,5,7-8,14H2,1H3
InChIKeyOIAKASHTIRTEPM-UHFFFAOYSA-N
XLogP1.43
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methyl-4-phenylpiperidin-3-yl)methanamine
CID 82609453
3-[(2R)-2-(aminomethyl)cyclopropyl]phenol
CID 105432221
3-(5-methylpyrrolidin-3-yl)phenol;hydrochloride
CID 161066750
[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpiperidin-3-yl]methanamine
CID 82622553
[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine
CID 82622283
3-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610660
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
3-[2-(aminomethyl)-1-methylpyrrolidin-3-yl]phenol
CID 105459318
2-[[2-(3-hydroxyphenyl)cyclopropyl]methyl]butanamide
CID 174360497
3-[(1S,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2R)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol;3-[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl]phenol
CID 161332431
[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557656
[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 94557654

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol?
The IUPAC name of 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol (CID 82616502) is 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol.
What is the SMILES notation for 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol?
The canonical SMILES for 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol is CC1CC(c2cccc(O)c2)C(CN)CN1.
What is the InChIKey of 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol?
The InChIKey is OIAKASHTIRTEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-13(11(7-14)8-15-9)10-3-2-4-12(16)6-10/h2-4,6,9,11,13,15-16H,5,7-8,14H2,1H3.
What are the key properties of 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol?
3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-2-methylpiperidin-4-yl]phenol is sourced from PubChem (CID 82616502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).