4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine

C23H28ClN — CID 21478599

IUPAC4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine
SMILESCc1ccc(C(=C2CCN(CCCCl)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28ClN/c1-18-4-8-20(9-5-18)23(21-10-6-19(2)7-11-21)22-12-16-25(17-13-22)15-3-14-24/h4-11H,3,12-17H2,1-2H3
InChIKeyXLLCYPNDRROHKQ-UHFFFAOYSA-N
MW353.94 g/mol
LogP5.83
Rot. Bonds5

About 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine

4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine (PubChem CID 21478599) has the molecular formula C23H28ClN and a molecular weight of 353.94 g/mol. Its IUPAC name is 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine.

Molecular Properties

Compound Name4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine
PubChem CID21478599
Molecular FormulaC23H28ClN
Molecular Weight353.94 g/mol
Exact Mass353.19
IUPAC Name4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine
SMILESCc1ccc(C(=C2CCN(CCCCl)CC2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H28ClN/c1-18-4-8-20(9-5-18)23(21-10-6-19(2)7-11-21)22-12-16-25(17-13-22)15-3-14-24/h4-11H,3,12-17H2,1-2H3
InChIKeyXLLCYPNDRROHKQ-UHFFFAOYSA-N
XLogP5.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.94
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chloropropyl)piperidin-4-yl]-4-methylbenzamide
CID 54204989
1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
CID 23383814
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
CID 46172910
4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine
CID 22622561
4-[(4-hydroxyphenyl)-(1-methylpiperidin-4-ylidene)methyl]phenol
CID 13467567
2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
CID 54424990
2-[2-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxy]ethoxy]ethanol;hydrochloride
CID 71587103
1-[2-(3-chloropropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propan-1-one
CID 69152414
N-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 11997893
5-[3-(4-benzhydrylidenepiperidin-1-yl)propyl]-1-methyl-4H-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11091977
N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide
CID 22622593

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine?
The IUPAC name of 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine (CID 21478599) is 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine.
What is the SMILES notation for 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine?
The canonical SMILES for 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine is Cc1ccc(C(=C2CCN(CCCCl)CC2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine?
The InChIKey is XLLCYPNDRROHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN/c1-18-4-8-20(9-5-18)23(21-10-6-19(2)7-11-21)22-12-16-25(17-13-22)15-3-14-24/h4-11H,3,12-17H2,1-2H3.
What are the key properties of 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine?
4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine has a molecular weight of 353.94 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine is sourced from PubChem (CID 21478599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).