1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine

C18H28ClNO — CID 146327178

IUPAC1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
SMILESCc1cc(CCCOCCCN2CCCCC2)ccc1Cl
InChIInChI=1S/C18H28ClNO/c1-16-15-17(8-9-18(16)19)7-5-13-21-14-6-12-20-10-3-2-4-11-20/h8-9,15H,2-7,10-14H2,1H3
InChIKeyGEAFZYTVEFPLMA-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.47
Rot. Bonds8

About 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine

1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine (PubChem CID 146327178) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
PubChem CID146327178
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine
SMILESCc1cc(CCCOCCCN2CCCCC2)ccc1Cl
InChIInChI=1S/C18H28ClNO/c1-16-15-17(8-9-18(16)19)7-5-13-21-14-6-12-20-10-3-2-4-11-20/h8-9,15H,2-7,10-14H2,1H3
InChIKeyGEAFZYTVEFPLMA-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
2-methoxy-4-[3-(3-piperidin-1-ylpropoxy)propyl]phenol
CID 11978505
N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 113362652
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
1-[3-[4-butyl-2-(3-piperidin-1-ylpropoxy)phenoxy]propyl]piperidine
CID 131729850
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
2-amino-2-[2-[3-methyl-4-(3-piperidin-1-ylpropoxy)phenyl]ethyl]propane-1,3-diol
CID 70911430
N-[2-(3,4-dimethylphenyl)ethyl]-4-piperidin-1-ylbutan-1-amine
CID 173324718
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 558444
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992
3-(4-chloro-3-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 145472611

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine?
The IUPAC name of 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine (CID 146327178) is 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine is Cc1cc(CCCOCCCN2CCCCC2)ccc1Cl.
What is the InChIKey of 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine?
The InChIKey is GEAFZYTVEFPLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-16-15-17(8-9-18(16)19)7-5-13-21-14-6-12-20-10-3-2-4-11-20/h8-9,15H,2-7,10-14H2,1H3.
What are the key properties of 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine?
1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine has a molecular weight of 309.88 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chloro-3-methylphenyl)propoxy]propyl]piperidine is sourced from PubChem (CID 146327178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).