1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine

C17H26N2 — CID 165125144

IUPAC1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N.C5H9N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1/h2-6,12H,7-10H2,1H3;1-2,6H,3-5H2
InChIKeyBNXBWGLEYWHPIO-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.03
Rot. Bonds1

About 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine

1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine (PubChem CID 165125144) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
PubChem CID165125144
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N.C5H9N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1/h2-6,12H,7-10H2,1H3;1-2,6H,3-5H2
InChIKeyBNXBWGLEYWHPIO-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
The IUPAC name of 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine (CID 165125144) is 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
The canonical SMILES for 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine is C1=CCNCC1.CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
The InChIKey is BNXBWGLEYWHPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C5H9N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1/h2-6,12H,7-10H2,1H3;1-2,6H,3-5H2.
What are the key properties of 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine has a molecular weight of 258.41 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 165125144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).