(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine

C20H25N — CID 129373468

IUPAC(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
SMILESCCN1CC[C@@H](c2ccccc2)[C@H](c2cccc(C)c2)C1
InChIInChI=1S/C20H25N/c1-3-21-13-12-19(17-9-5-4-6-10-17)20(15-21)18-11-7-8-16(2)14-18/h4-11,14,19-20H,3,12-13,15H2,1-2H3/t19-,20-/m0/s1
InChIKeyQYTDPEDVPXCAKK-PMACEKPBSA-N
MW279.43 g/mol
LogP4.59
Rot. Bonds3

About (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine

(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine (PubChem CID 129373468) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine.

Molecular Properties

Compound Name(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
PubChem CID129373468
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine
SMILESCCN1CC[C@@H](c2ccccc2)[C@H](c2cccc(C)c2)C1
InChIInChI=1S/C20H25N/c1-3-21-13-12-19(17-9-5-4-6-10-17)20(15-21)18-11-7-8-16(2)14-18/h4-11,14,19-20H,3,12-13,15H2,1-2H3/t19-,20-/m0/s1
InChIKeyQYTDPEDVPXCAKK-PMACEKPBSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine?
The IUPAC name of (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine (CID 129373468) is (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine.
What is the SMILES notation for (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine?
The canonical SMILES for (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine is CCN1CC[C@@H](c2ccccc2)[C@H](c2cccc(C)c2)C1.
What is the InChIKey of (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine?
The InChIKey is QYTDPEDVPXCAKK-PMACEKPBSA-N. The full InChI is InChI=1S/C20H25N/c1-3-21-13-12-19(17-9-5-4-6-10-17)20(15-21)18-11-7-8-16(2)14-18/h4-11,14,19-20H,3,12-13,15H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine?
(3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine has a molecular weight of 279.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-ethyl-3-(3-methylphenyl)-4-phenylpiperidine is sourced from PubChem (CID 129373468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).