(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine

C18H23N — CID 1272140

IUPAC(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@H]1CC(Cc2ccccc2)=C[C@H](CC=C)N1
InChIInChI=1S/C18H23N/c1-3-8-17-13-16(14-18(19-17)9-4-2)12-15-10-6-5-7-11-15/h3-7,10-11,13,17-19H,1-2,8-9,12,14H2/t17-,18-/m0/s1
InChIKeyPFOAIMHDKWUDIQ-ROUUACIJSA-N
MW253.39 g/mol
LogP4.04
Rot. Bonds6

About (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine

(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (PubChem CID 1272140) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
PubChem CID1272140
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@H]1CC(Cc2ccccc2)=C[C@H](CC=C)N1
InChIInChI=1S/C18H23N/c1-3-8-17-13-16(14-18(19-17)9-4-2)12-15-10-6-5-7-11-15/h3-7,10-11,13,17-19H,1-2,8-9,12,14H2/t17-,18-/m0/s1
InChIKeyPFOAIMHDKWUDIQ-ROUUACIJSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine (CID 1272140) is (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is C=CC[C@H]1CC(Cc2ccccc2)=C[C@H](CC=C)N1.
What is the InChIKey of (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is PFOAIMHDKWUDIQ-ROUUACIJSA-N. The full InChI is InChI=1S/C18H23N/c1-3-8-17-13-16(14-18(19-17)9-4-2)12-15-10-6-5-7-11-15/h3-7,10-11,13,17-19H,1-2,8-9,12,14H2/t17-,18-/m0/s1.
What are the key properties of (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine?
(2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 253.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-benzyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 1272140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).