1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine

C15H20ClN — CID 130186827

IUPAC1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN/c1-12(2)14-4-3-9-17(11-14)10-13-5-7-15(16)8-6-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyNOSBNBSHCRICDN-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.13
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine

1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 130186827) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID130186827
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN/c1-12(2)14-4-3-9-17(11-14)10-13-5-7-15(16)8-6-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyNOSBNBSHCRICDN-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.13
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

1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole
CID 130186831
1-(4-chlorophenyl)sulfonyl-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 130186824
4-[[5-[(1S)-1-acetamidoethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid
CID 95121445
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine
CID 2878740
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
N-[(1R)-1-[1-[(6-chloro-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-5-yl]ethyl]furan-2-carboxamide
CID 95207111
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine (CID 130186827) is 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is NOSBNBSHCRICDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-12(2)14-4-3-9-17(11-14)10-13-5-7-15(16)8-6-13/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 249.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130186827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).