(3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine

C15H21ClFN — CID 11242662

IUPAC(3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCF)C1
InChIInChI=1S/C15H21ClFN/c1-18-10-8-15(13(11-18)3-2-9-17)12-4-6-14(16)7-5-12/h4-7,13,15H,2-3,8-11H2,1H3/t13-,15+/m0/s1
InChIKeyRAQYOHMORIPGGL-DZGCQCFKSA-N
MW269.79 g/mol
LogP4.12
Rot. Bonds4

About (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine

(3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine (PubChem CID 11242662) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine.

Molecular Properties

Compound Name(3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine
PubChem CID11242662
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name(3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine
SMILESCN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCF)C1
InChIInChI=1S/C15H21ClFN/c1-18-10-8-15(13(11-18)3-2-9-17)12-4-6-14(16)7-5-12/h4-7,13,15H,2-3,8-11H2,1H3/t13-,15+/m0/s1
InChIKeyRAQYOHMORIPGGL-DZGCQCFKSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine?
The IUPAC name of (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine (CID 11242662) is (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine.
What is the SMILES notation for (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine?
The canonical SMILES for (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine is CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCCF)C1.
What is the InChIKey of (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine?
The InChIKey is RAQYOHMORIPGGL-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-18-10-8-15(13(11-18)3-2-9-17)12-4-6-14(16)7-5-12/h4-7,13,15H,2-3,8-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of (3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine?
(3R,4S)-4-(4-chlorophenyl)-3-(3-fluoropropyl)-1-methylpiperidine has a molecular weight of 269.79 g/mol, XLogP of 4.12, 4 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)-3-(3-fluoropropyl)-1-methylpiperidine is sourced from PubChem (CID 11242662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).