(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine

C15H21N — CID 1426755

IUPAC(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)[C@H]1CC[C@H](C)N[C@@H]1c1ccccc1
InChIInChI=1S/C15H21N/c1-11(2)14-10-9-12(3)16-15(14)13-7-5-4-6-8-13/h4-8,12,14-16H,1,9-10H2,2-3H3/t12-,14+,15+/m0/s1
InChIKeyCKCFIDBXBOJKMO-NWANDNLSSA-N
MW215.34 g/mol
LogP3.69
Rot. Bonds2

About (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine

(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine (PubChem CID 1426755) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
PubChem CID1426755
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
SMILESC=C(C)[C@H]1CC[C@H](C)N[C@@H]1c1ccccc1
InChIInChI=1S/C15H21N/c1-11(2)14-10-9-12(3)16-15(14)13-7-5-4-6-8-13/h4-8,12,14-16H,1,9-10H2,2-3H3/t12-,14+,15+/m0/s1
InChIKeyCKCFIDBXBOJKMO-NWANDNLSSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 3834468
(2S,3S,6S)-6-methyl-2-phenylpiperidin-3-amine
CID 21069315
(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
CID 134970046
(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
CID 15696220
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide
CID 66219910
(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
CID 134858494
ethyl (2S,4S,5R)-4-acetyl-5-phenylpyrrolidine-2-carboxylate
CID 102082926
2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
CID 66220159
(3-methylcyclopentyl)benzene;propane
CID 142973096
1-[(2S,3S,5S)-5-diethoxyphosphoryl-2-phenylpyrrolidin-3-yl]ethanone
CID 139254814
3-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride
CID 2729799

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine?
The IUPAC name of (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine (CID 1426755) is (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine?
The canonical SMILES for (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine is C=C(C)[C@H]1CC[C@H](C)N[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine?
The InChIKey is CKCFIDBXBOJKMO-NWANDNLSSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)14-10-9-12(3)16-15(14)13-7-5-4-6-8-13/h4-8,12,14-16H,1,9-10H2,2-3H3/t12-,14+,15+/m0/s1.
What are the key properties of (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine?
(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine has a molecular weight of 215.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 1426755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).