1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride

C15H22ClN — CID 3031486

IUPAC1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCCCCN1CC=C(c2ccccc2)CC1.Cl
InChIInChI=1S/C15H21N.ClH/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14;/h4-9H,2-3,10-13H2,1H3;1H
InChIKeyYRZHPDJSZZXTFB-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.00
Rot. Bonds4

About 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride

1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 3031486) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID3031486
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCCCCN1CC=C(c2ccccc2)CC1.Cl
InChIInChI=1S/C15H21N.ClH/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14;/h4-9H,2-3,10-13H2,1H3;1H
InChIKeyYRZHPDJSZZXTFB-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
2-(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 91675239
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
1-(2-methoxy-2-phenylethyl)-4-phenyl-3,6-dihydro-2H-pyridine
CID 110177591
4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole
CID 70063002
4-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclohexan-1-one
CID 15101112
3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 10474151
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
1-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15942778
4-(5-ethoxy-1H-pyrrol-3-yl)-1-pentyl-3,6-dihydro-2H-pyridine
CID 57114351

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride (CID 3031486) is 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride is CCCCN1CC=C(c2ccccc2)CC1.Cl.
What is the InChIKey of 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is YRZHPDJSZZXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.ClH/c1-2-3-11-16-12-9-15(10-13-16)14-7-5-4-6-8-14;/h4-9H,2-3,10-13H2,1H3;1H.
What are the key properties of 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride?
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 3031486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).