1-methylpiperidine;3-phenylpiperidine;pyridine

C22H33N3 — CID 70537443

IUPAC1-methylpiperidine;3-phenylpiperidine;pyridine
SMILESCN1CCCCC1.c1ccc(C2CCCNC2)cc1.c1ccncc1
InChIInChI=1S/C11H15N.C6H13N.C5H5N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h1-3,5-6,11-12H,4,7-9H2;2-6H2,1H3;1-5H
InChIKeyRKMNVDSRSUXXBZ-UHFFFAOYSA-N
MW339.53 g/mol
LogP4.34
Rot. Bonds1

About 1-methylpiperidine;3-phenylpiperidine;pyridine

1-methylpiperidine;3-phenylpiperidine;pyridine (PubChem CID 70537443) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-methylpiperidine;3-phenylpiperidine;pyridine.

Molecular Properties

Compound Name1-methylpiperidine;3-phenylpiperidine;pyridine
PubChem CID70537443
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name1-methylpiperidine;3-phenylpiperidine;pyridine
SMILESCN1CCCCC1.c1ccc(C2CCCNC2)cc1.c1ccncc1
InChIInChI=1S/C11H15N.C6H13N.C5H5N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h1-3,5-6,11-12H,4,7-9H2;2-6H2,1H3;1-5H
InChIKeyRKMNVDSRSUXXBZ-UHFFFAOYSA-N
XLogP4.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;3-phenylpiperidine;pyridine?
The IUPAC name of 1-methylpiperidine;3-phenylpiperidine;pyridine (CID 70537443) is 1-methylpiperidine;3-phenylpiperidine;pyridine.
What is the SMILES notation for 1-methylpiperidine;3-phenylpiperidine;pyridine?
The canonical SMILES for 1-methylpiperidine;3-phenylpiperidine;pyridine is CN1CCCCC1.c1ccc(C2CCCNC2)cc1.c1ccncc1.
What is the InChIKey of 1-methylpiperidine;3-phenylpiperidine;pyridine?
The InChIKey is RKMNVDSRSUXXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C6H13N.C5H5N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h1-3,5-6,11-12H,4,7-9H2;2-6H2,1H3;1-5H.
What are the key properties of 1-methylpiperidine;3-phenylpiperidine;pyridine?
1-methylpiperidine;3-phenylpiperidine;pyridine has a molecular weight of 339.53 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;3-phenylpiperidine;pyridine is sourced from PubChem (CID 70537443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).