4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene

C19H26N2O — CID 174508094

IUPAC4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene
SMILESCc1ccccc1.NCc1cccc(C2(O)CCNCC2)c1
InChIInChI=1S/C12H18N2O.C7H8/c13-9-10-2-1-3-11(8-10)12(15)4-6-14-7-5-12;1-7-5-3-2-4-6-7/h1-3,8,14-15H,4-7,9,13H2;2-6H,1H3
InChIKeyTUXORMVSWPRZJB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.71
Rot. Bonds2

About 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene

4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene (PubChem CID 174508094) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene
PubChem CID174508094
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene
SMILESCc1ccccc1.NCc1cccc(C2(O)CCNCC2)c1
InChIInChI=1S/C12H18N2O.C7H8/c13-9-10-2-1-3-11(8-10)12(15)4-6-14-7-5-12;1-7-5-3-2-4-6-7/h1-3,8,14-15H,4-7,9,13H2;2-6H,1H3
InChIKeyTUXORMVSWPRZJB-UHFFFAOYSA-N
XLogP2.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene 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

4-(4-benzylphenyl)piperidin-4-ol
CID 15057300
4-(3,5-dimethylphenyl)piperidin-4-ol
CID 23149822
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
phenylmethanamine;titanium(2+)
CID 21287655
4-(4-phenylphenyl)azepan-4-ol
CID 103982949
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
2-methyl-4-(3-methylphenyl)piperidin-4-ol
CID 83819923
(3R)-3-phenylpyrrolidin-3-ol;hydrochloride
CID 154574670
4-(3-methoxy-4-phenylphenyl)piperidin-4-ol
CID 139901331
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
ethane;4-methyl-4-phenylpiperidine
CID 91476557

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene?
The IUPAC name of 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene (CID 174508094) is 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene is Cc1ccccc1.NCc1cccc(C2(O)CCNCC2)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene?
The InChIKey is TUXORMVSWPRZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C7H8/c13-9-10-2-1-3-11(8-10)12(15)4-6-14-7-5-12;1-7-5-3-2-4-6-7/h1-3,8,14-15H,4-7,9,13H2;2-6H,1H3.
What are the key properties of 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene?
4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene has a molecular weight of 298.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]piperidin-4-ol;toluene is sourced from PubChem (CID 174508094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).