1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol

C21H28N2O — CID 111778128

IUPAC1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCc1ccccc1CNCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C21H28N2O/c1-17-6-2-3-7-18(17)14-22-15-19-8-4-5-9-20(19)16-23-12-10-21(24)11-13-23/h2-9,21-22,24H,10-16H2,1H3
InChIKeyJDVOKCNJXQVQCP-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.24
Rot. Bonds6

About 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 111778128) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
PubChem CID111778128
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCc1ccccc1CNCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C21H28N2O/c1-17-6-2-3-7-18(17)14-22-15-19-8-4-5-9-20(19)16-23-12-10-21(24)11-13-23/h2-9,21-22,24H,10-16H2,1H3
InChIKeyJDVOKCNJXQVQCP-UHFFFAOYSA-N
XLogP3.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
CID 67960796
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
1-[[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]methyl]piperidin-4-ol
CID 111432948
1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133403510
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 111123249
5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile
CID 111778172
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111925768
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol (CID 111778128) is 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol is Cc1ccccc1CNCc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is JDVOKCNJXQVQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17-6-2-3-7-18(17)14-22-15-19-8-4-5-9-20(19)16-23-12-10-21(24)11-13-23/h2-9,21-22,24H,10-16H2,1H3.
What are the key properties of 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 324.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 111778128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).