1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine

C14H19N — CID 54327402

IUPAC1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C14H19N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1-5,8-9H,6-7,10-13H2
InChIKeyWOKZGPAOFQHBRB-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.88
Rot. Bonds4

About 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine

1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine (PubChem CID 54327402) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
PubChem CID54327402
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C14H19N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1-5,8-9H,6-7,10-13H2
InChIKeyWOKZGPAOFQHBRB-UHFFFAOYSA-N
XLogP2.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.88
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

(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
(3R,5S)-1-(3-phenylpropyl)piperidine-3,5-diamine
CID 118550630
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-(4-phenylbutyl)azetidin-3-ol
CID 114334514
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
1-(3-phenylpropyl)azepan-3-imine
CID 57199105
N-(cyclopropylmethyl)-1-(3-phenylpropyl)piperidin-4-amine
CID 24731541
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]methanamine
CID 107160658

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine (CID 54327402) is 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine is C1=CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WOKZGPAOFQHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1-5,8-9H,6-7,10-13H2.
What are the key properties of 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine?
1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine has a molecular weight of 201.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 54327402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).