1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol

C22H30N2O — CID 111432948

IUPAC1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(C)c(CNc2ccccc2CN2CCC(O)CC2)cc1C
InChIInChI=1S/C22H30N2O/c1-16-12-18(3)20(13-17(16)2)14-23-22-7-5-4-6-19(22)15-24-10-8-21(25)9-11-24/h4-7,12-13,21,23,25H,8-11,14-15H2,1-3H3
InChIKeyXNPCBDHECVAMCP-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.18
Rot. Bonds5

About 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol

1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol (PubChem CID 111432948) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
PubChem CID111432948
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(C)c(CNc2ccccc2CN2CCC(O)CC2)cc1C
InChIInChI=1S/C22H30N2O/c1-16-12-18(3)20(13-17(16)2)14-23-22-7-5-4-6-19(22)15-24-10-8-21(25)9-11-24/h4-7,12-13,21,23,25H,8-11,14-15H2,1-3H3
InChIKeyXNPCBDHECVAMCP-UHFFFAOYSA-N
XLogP4.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133403510
1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
CID 67960796
[1-[[2-[(1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 109482213
1-[[2-[[4-fluoro-2-(trifluoromethylsulfonyl)anilino]methyl]phenyl]methyl]piperidin-4-ol
CID 133326397
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
[1-[[2-[(2,4-difluorophenyl)methylamino]phenyl]methyl]piperidin-4-yl]methanol
CID 111976965
2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43759441
1-[[2-[[5-(hydroxymethyl)-2-nitroanilino]methyl]phenyl]methyl]piperidin-4-ol
CID 133438068
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
N-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110026356

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol (CID 111432948) is 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol is Cc1cc(C)c(CNc2ccccc2CN2CCC(O)CC2)cc1C.
What is the InChIKey of 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol?
The InChIKey is XNPCBDHECVAMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-16-12-18(3)20(13-17(16)2)14-23-22-7-5-4-6-19(22)15-24-10-8-21(25)9-11-24/h4-7,12-13,21,23,25H,8-11,14-15H2,1-3H3.
What are the key properties of 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol?
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol has a molecular weight of 338.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 111432948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).