5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride

C14H20ClN — CID 3066288

IUPAC5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC(C)N1CCC=C(c2ccccc2)C1.Cl
InChIInChI=1S/C14H19N.ClH/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;/h3-5,7-9,12H,6,10-11H2,1-2H3;1H
InChIKeyJRSYYSWPGBBNOM-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.61
Rot. Bonds2

About 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride

5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride (PubChem CID 3066288) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride
PubChem CID3066288
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride
SMILESCC(C)N1CCC=C(c2ccccc2)C1.Cl
InChIInChI=1S/C14H19N.ClH/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;/h3-5,7-9,12H,6,10-11H2,1-2H3;1H
InChIKeyJRSYYSWPGBBNOM-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride?
The IUPAC name of 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride (CID 3066288) is 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride.
What is the SMILES notation for 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride?
The canonical SMILES for 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride is CC(C)N1CCC=C(c2ccccc2)C1.Cl.
What is the InChIKey of 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride?
The InChIKey is JRSYYSWPGBBNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.ClH/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;/h3-5,7-9,12H,6,10-11H2,1-2H3;1H.
What are the key properties of 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride?
5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;hydrochloride is sourced from PubChem (CID 3066288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).