(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine

C15H22ClN — CID 10682211

IUPAC(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine
SMILESCCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWGRXFWGMDSMNI-DZGCQCFKSA-N
MW251.80 g/mol
LogP4.18
Rot. Bonds3

About (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine

(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine (PubChem CID 10682211) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine.

Molecular Properties

Compound Name(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine
PubChem CID10682211
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine
SMILESCCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1
InChIKeyMWGRXFWGMDSMNI-DZGCQCFKSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Sibutramine
CID 5210
Sibutramine Hydrochloride
CID 64764
1-(2-(3,4-Dichlorophenyl)ethyl)-4-methylpiperazine
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Pyrrobutamine
CID 8669
Clofilium
CID 2798
1-[(2E)-4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine
CID 5284614
1-[2-(3,4-Dichlorophenyl)ethyl]-4-propylpiperazine
CID 587944
1,1-Dimethyl-4-phenylpiperidin-1-ium iodide
CID 202330
3-(4-Chloro-phenyl)-2-(2-chloro-vinyl)-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 9948112
3-(4-Chloro-phenyl)-8-methyl-2-vinyl-8-aza-bicyclo[3.2.1]octane
CID 15679192
N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
CID 17583254
4-Phenyl-1-propylpiperidine
CID 203697

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine?
The IUPAC name of (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine (CID 10682211) is (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine.
What is the SMILES notation for (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine?
The canonical SMILES for (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine is CCC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine?
The InChIKey is MWGRXFWGMDSMNI-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-4-13-11-17(2)10-9-15(13)12-5-7-14(16)8-6-12/h5-8,13,15H,3-4,9-11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine?
(3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine has a molecular weight of 251.80 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-chlorophenyl)-1-methyl-3-propylpiperidine is sourced from PubChem (CID 10682211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).