2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol

C23H30ClNO — CID 67724188

IUPAC2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol
SMILESCc1ccccc1C(c1ccccc1C)C1CC(O)CCN1CCCCl
InChIInChI=1S/C23H30ClNO/c1-17-8-3-5-10-20(17)23(21-11-6-4-9-18(21)2)22-16-19(26)12-15-25(22)14-7-13-24/h3-6,8-11,19,22-23,26H,7,12-16H2,1-2H3
InChIKeyZEJUSAPYVRBMGY-UHFFFAOYSA-N
MW371.95 g/mol
LogP4.89
Rot. Bonds6

About 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol

2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol (PubChem CID 67724188) has the molecular formula C23H30ClNO and a molecular weight of 371.95 g/mol. Its IUPAC name is 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol.

Molecular Properties

Compound Name2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol
PubChem CID67724188
Molecular FormulaC23H30ClNO
Molecular Weight371.95 g/mol
Exact Mass371.20
IUPAC Name2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol
SMILESCc1ccccc1C(c1ccccc1C)C1CC(O)CCN1CCCCl
InChIInChI=1S/C23H30ClNO/c1-17-8-3-5-10-20(17)23(21-11-6-4-9-18(21)2)22-16-19(26)12-15-25(22)14-7-13-24/h3-6,8-11,19,22-23,26H,7,12-16H2,1-2H3
InChIKeyZEJUSAPYVRBMGY-UHFFFAOYSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.95
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-[2-amino-1-(2-methylphenyl)propyl]piperidin-4-ol
CID 55017840
2-[4-[4-(2-benzhydryl-4-hydroxypiperidin-1-yl)-1-hydroxybutyl]phenyl]-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 139707378
2-(hydroxymethyl)-1-[5-[(1R)-1-(4-phenylphenyl)ethoxy]pentyl]piperidin-4-ol
CID 166785881
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 65440471
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
2-benzhydryl-1-[2-[(2,6-dimethyl-3-nitro-4-pyridinyl)amino]ethyl]piperidin-4-ol
CID 70418628
[1-[3-amino-3-(2-methylphenyl)propyl]pyrrolidin-2-yl]methanol
CID 62629452
1-[2-(2-chlorophenyl)ethyl]-2-methylpiperidin-4-ol
CID 155302788
2-(1-hydroxypropyl)-1-phenylpiperidin-4-ol
CID 67110983
(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
CID 71409526

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol?
The IUPAC name of 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol (CID 67724188) is 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol.
What is the SMILES notation for 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol?
The canonical SMILES for 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol is Cc1ccccc1C(c1ccccc1C)C1CC(O)CCN1CCCCl.
What is the InChIKey of 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol?
The InChIKey is ZEJUSAPYVRBMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO/c1-17-8-3-5-10-20(17)23(21-11-6-4-9-18(21)2)22-16-19(26)12-15-25(22)14-7-13-24/h3-6,8-11,19,22-23,26H,7,12-16H2,1-2H3.
What are the key properties of 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol?
2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol has a molecular weight of 371.95 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylphenyl)methyl]-1-(3-chloropropyl)piperidin-4-ol is sourced from PubChem (CID 67724188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).