(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine

C12H16ClN — CID 70225291

IUPAC(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
SMILESC[C@@H]1CCNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-9-6-7-14-8-12(9)10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m1/s1
InChIKeyFFVSKHOORBPYQH-BXKDBHETSA-N
MW209.72 g/mol
LogP3.05
Rot. Bonds1

About (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine

(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine (PubChem CID 70225291) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
PubChem CID70225291
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
SMILESC[C@@H]1CCNC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-9-6-7-14-8-12(9)10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m1/s1
InChIKeyFFVSKHOORBPYQH-BXKDBHETSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine?
The IUPAC name of (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine (CID 70225291) is (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine.
What is the SMILES notation for (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine?
The canonical SMILES for (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine is C[C@@H]1CCNC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine?
The InChIKey is FFVSKHOORBPYQH-BXKDBHETSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-6-7-14-8-12(9)10-2-4-11(13)5-3-10/h2-5,9,12,14H,6-8H2,1H3/t9-,12-/m1/s1.
What are the key properties of (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine?
(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine has a molecular weight of 209.72 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine is sourced from PubChem (CID 70225291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).