4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol

C14H22N2O — CID 126846949

IUPAC4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol
SMILESCc1ccccc1CNCC1(O)CCNCC1
InChIInChI=1S/C14H22N2O/c1-12-4-2-3-5-13(12)10-16-11-14(17)6-8-15-9-7-14/h2-5,15-17H,6-11H2,1H3
InChIKeyLGYXLNLOLXHXLI-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.20
Rot. Bonds4

About 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol

4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol (PubChem CID 126846949) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol
PubChem CID126846949
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol
SMILESCc1ccccc1CNCC1(O)CCNCC1
InChIInChI=1S/C14H22N2O/c1-12-4-2-3-5-13(12)10-16-11-14(17)6-8-15-9-7-14/h2-5,15-17H,6-11H2,1H3
InChIKeyLGYXLNLOLXHXLI-UHFFFAOYSA-N
XLogP1.20
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(pyridin-2-ylmethylamino)methyl]piperidin-4-ol
CID 82286679
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
CID 115244158
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
4-(anilinomethyl)piperidin-4-ol
CID 56773843
1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154893140
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
1-[[(2-bromophenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931838
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]benzamide
CID 65120899
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol (CID 126846949) is 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol is Cc1ccccc1CNCC1(O)CCNCC1.
What is the InChIKey of 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol?
The InChIKey is LGYXLNLOLXHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12-4-2-3-5-13(12)10-16-11-14(17)6-8-15-9-7-14/h2-5,15-17H,6-11H2,1H3.
What are the key properties of 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol?
4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol has a molecular weight of 234.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methylphenyl)methylamino]methyl]piperidin-4-ol is sourced from PubChem (CID 126846949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).