6-benzhydryl-2,3,4,5-tetrahydropyridine

C18H19N — CID 54250072

IUPAC6-benzhydryl-2,3,4,5-tetrahydropyridine
SMILESc1ccc(C(C2=NCCCC2)c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,18H,7-8,13-14H2
InChIKeyQWDGXEMRTLUOAM-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.44
Rot. Bonds3

About 6-benzhydryl-2,3,4,5-tetrahydropyridine

6-benzhydryl-2,3,4,5-tetrahydropyridine (PubChem CID 54250072) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-benzhydryl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-benzhydryl-2,3,4,5-tetrahydropyridine
PubChem CID54250072
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name6-benzhydryl-2,3,4,5-tetrahydropyridine
SMILESc1ccc(C(C2=NCCCC2)c2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,18H,7-8,13-14H2
InChIKeyQWDGXEMRTLUOAM-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[4-(diethylcarbamoyl)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]-N-phenylbenzamide
CID 90929441
(2S)-3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile
CID 6939141
2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol
CID 79504547
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
2-(2,3,4,5-tetrahydropyridin-6-yl)propanedinitrile
CID 90810955
N-[(3-chlorophenyl)-phenylmethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 54404722
N,N-diethyl-4-[[3-(furan-2-ylmethylamino)phenyl]-(2,3,4,5-tetrahydropyridin-6-yl)methyl]benzamide
CID 90985936
4-[methylsulfonyl(phenyl)methyl]-2,3-dihydroazete
CID 90980477
benzhydrylbenzene;isocyanic acid
CID 172798878
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779

Frequently Asked Questions

What is the IUPAC name of 6-benzhydryl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-benzhydryl-2,3,4,5-tetrahydropyridine (CID 54250072) is 6-benzhydryl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-benzhydryl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-benzhydryl-2,3,4,5-tetrahydropyridine is c1ccc(C(C2=NCCCC2)c2ccccc2)cc1.
What is the InChIKey of 6-benzhydryl-2,3,4,5-tetrahydropyridine?
The InChIKey is QWDGXEMRTLUOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,18H,7-8,13-14H2.
What are the key properties of 6-benzhydryl-2,3,4,5-tetrahydropyridine?
6-benzhydryl-2,3,4,5-tetrahydropyridine has a molecular weight of 249.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 54250072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).