(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine

C21H25N — CID 11022672

IUPAC(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
SMILESC(=C/[C@H]1CCCCN1Cc1ccccc1)\Cc1ccccc1
InChIInChI=1S/C21H25N/c1-3-10-19(11-4-1)14-9-16-21-15-7-8-17-22(21)18-20-12-5-2-6-13-20/h1-6,9-13,16,21H,7-8,14-15,17-18H2/b16-9+/t21-/m1/s1
InChIKeyRMVUYMFJMFBJKM-ZZKIFARHSA-N
MW291.44 g/mol
LogP4.84
Rot. Bonds5

About (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine

(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine (PubChem CID 11022672) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
PubChem CID11022672
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine
SMILESC(=C/[C@H]1CCCCN1Cc1ccccc1)\Cc1ccccc1
InChIInChI=1S/C21H25N/c1-3-10-19(11-4-1)14-9-16-21-15-7-8-17-22(21)18-20-12-5-2-6-13-20/h1-6,9-13,16,21H,7-8,14-15,17-18H2/b16-9+/t21-/m1/s1
InChIKeyRMVUYMFJMFBJKM-ZZKIFARHSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-benzyl-2-[(E)-3-(2,6-dimethylphenyl)prop-1-enyl]piperidine
CID 100963528
1-benzyl-2-[(E)-but-1-en-3-ynyl]piperidine
CID 15867084
1-benzyl-2-[(Z)-2-methoxyethenyl]piperidine
CID 102408699
1-benzyl-2-[(E)-2-phenylethenyl]pyrrolidine
CID 10563534
1-benzyl-2-[(E)-2-nitroethenyl]pyrrolidine
CID 130137463
1-benzyl-2-fluoropiperidine
CID 54431864
(2R)-1-benzylpiperidin-2-amine
CID 97050484
ethyl (E)-3-[(2R)-1-benzylpyrrolidin-2-yl]prop-2-enoate
CID 100980748
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
1-[(4-methoxyphenyl)methyl]-2-[(E)-prop-1-enyl]piperidine
CID 102449955
1-[(4-methylphenyl)methyl]piperidine-2-carbaldehyde
CID 62655332

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine?
The IUPAC name of (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine (CID 11022672) is (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine.
What is the SMILES notation for (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine?
The canonical SMILES for (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine is C(=C/[C@H]1CCCCN1Cc1ccccc1)\Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine?
The InChIKey is RMVUYMFJMFBJKM-ZZKIFARHSA-N. The full InChI is InChI=1S/C21H25N/c1-3-10-19(11-4-1)14-9-16-21-15-7-8-17-22(21)18-20-12-5-2-6-13-20/h1-6,9-13,16,21H,7-8,14-15,17-18H2/b16-9+/t21-/m1/s1.
What are the key properties of (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine?
(2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine has a molecular weight of 291.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-[(E)-3-phenylprop-1-enyl]piperidine is sourced from PubChem (CID 11022672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).