(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine

C19H30ClNO — CID 66702546

IUPAC(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(CCCOCCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H30ClNO/c1-16-13-17(2)15-21(14-16)10-4-12-22-11-3-5-18-6-8-19(20)9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyULKGYZJGSVUTSE-IRXDYDNUSA-N
MW323.91 g/mol
LogP4.66
Rot. Bonds8

About (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine

(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine (PubChem CID 66702546) has the molecular formula C19H30ClNO and a molecular weight of 323.91 g/mol. Its IUPAC name is (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
PubChem CID66702546
Molecular FormulaC19H30ClNO
Molecular Weight323.91 g/mol
Exact Mass323.20
IUPAC Name(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(CCCOCCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H30ClNO/c1-16-13-17(2)15-21(14-16)10-4-12-22-11-3-5-18-6-8-19(20)9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyULKGYZJGSVUTSE-IRXDYDNUSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.91
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3,5-dimethyl-1-[3-(3-phenylpropoxy)propyl]piperidine
CID 58747936
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidine
CID 172676756
4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol
CID 82188002
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
1-[(4-chlorophenyl)methyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55767047
2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
CID 79478924
(3S,4S)-1-[3-(4-chlorophenyl)propyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120861
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
(3R)-1-[3-(4-chlorophenyl)propyl]-N-methylpyrrolidin-3-amine
CID 58688933
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine (CID 66702546) is (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine is C[C@H]1C[C@H](C)CN(CCCOCCCc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine?
The InChIKey is ULKGYZJGSVUTSE-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H30ClNO/c1-16-13-17(2)15-21(14-16)10-4-12-22-11-3-5-18-6-8-19(20)9-7-18/h6-9,16-17H,3-5,10-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine?
(3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine has a molecular weight of 323.91 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-[3-[3-(4-chlorophenyl)propoxy]propyl]-3,5-dimethylpiperidine is sourced from PubChem (CID 66702546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).