4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine

C21H26ClNO — CID 160587805

IUPAC4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine
SMILESClc1ccc(COc2ccccc2CCCC2CCNCC2)cc1
InChIInChI=1S/C21H26ClNO/c22-20-10-8-18(9-11-20)16-24-21-7-2-1-5-19(21)6-3-4-17-12-14-23-15-13-17/h1-2,5,7-11,17,23H,3-4,6,12-16H2
InChIKeyRCPOUMKVANTWTC-UHFFFAOYSA-N
MW343.90 g/mol
LogP5.24
Rot. Bonds7

About 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine

4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine (PubChem CID 160587805) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine.

Molecular Properties

Compound Name4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine
PubChem CID160587805
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine
SMILESClc1ccc(COc2ccccc2CCCC2CCNCC2)cc1
InChIInChI=1S/C21H26ClNO/c22-20-10-8-18(9-11-20)16-24-21-7-2-1-5-19(21)6-3-4-17-12-14-23-15-13-17/h1-2,5,7-11,17,23H,3-4,6,12-16H2
InChIKeyRCPOUMKVANTWTC-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]azetidine
CID 159672639
4-[2-(2-phenylmethoxyphenyl)ethyl]piperidine
CID 142656770
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-cyclopropylmethanamine
CID 57269923
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155048
4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
CID 141152899
4-[2-(2-propylphenoxy)ethyl]piperidine
CID 56830188
4-[3-(2-methylphenyl)propyl]piperidine
CID 54301052
2-phenylmethoxy-6-(piperidin-4-ylmethyl)phenol
CID 117479063
3-[2-[(2-bromo-4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 135174232
4-[3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propyl]piperidine
CID 147775404
2-[(4-chlorophenyl)methoxy]-N-piperidin-4-ylbenzamide
CID 119388320

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine?
The IUPAC name of 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine (CID 160587805) is 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine.
What is the SMILES notation for 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine?
The canonical SMILES for 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine is Clc1ccc(COc2ccccc2CCCC2CCNCC2)cc1.
What is the InChIKey of 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine?
The InChIKey is RCPOUMKVANTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c22-20-10-8-18(9-11-20)16-24-21-7-2-1-5-19(21)6-3-4-17-12-14-23-15-13-17/h1-2,5,7-11,17,23H,3-4,6,12-16H2.
What are the key properties of 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine?
4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine has a molecular weight of 343.90 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(4-chlorophenyl)methoxy]phenyl]propyl]piperidine is sourced from PubChem (CID 160587805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).