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

C17H23N — CID 3025114

IUPAC1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C17H23N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,3-5,8,10-11H,2,6-7,9,12-15H2
InChIKeyLAGQRENRTSANDN-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.11
Rot. Bonds2

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

1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine (PubChem CID 3025114) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine
PubChem CID3025114
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine
SMILESC1=CCN(C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C17H23N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,3-5,8,10-11H,2,6-7,9,12-15H2
InChIKeyLAGQRENRTSANDN-UHFFFAOYSA-N
XLogP4.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine (CID 3025114) is 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine is C1=CCN(C2(c3ccccc3)CCCCC2)CC1.
What is the InChIKey of 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine?
The InChIKey is LAGQRENRTSANDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,3-5,8,10-11H,2,6-7,9,12-15H2.
What are the key properties of 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine?
1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine has a molecular weight of 241.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3025114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).