1-methylpiperidine

C12H26N2 — CID 90254979

IUPAC1-methylpiperidine
SMILESCN1CCCCC1.CN1CCCCC1
InChIInChI=1S/2C6H13N/c2*1-7-5-3-2-4-6-7/h2*2-6H2,1H3
InChIKeyZVYSGOITVWNULH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds

About 1-methylpiperidine

1-methylpiperidine (PubChem CID 90254979) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-methylpiperidine.

Molecular Properties

Compound Name1-methylpiperidine
PubChem CID90254979
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-methylpiperidine
SMILESCN1CCCCC1.CN1CCCCC1
InChIInChI=1S/2C6H13N/c2*1-7-5-3-2-4-6-7/h2*2-6H2,1H3
InChIKeyZVYSGOITVWNULH-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine?
The IUPAC name of 1-methylpiperidine (CID 90254979) is 1-methylpiperidine.
What is the SMILES notation for 1-methylpiperidine?
The canonical SMILES for 1-methylpiperidine is CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of 1-methylpiperidine?
The InChIKey is ZVYSGOITVWNULH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N/c2*1-7-5-3-2-4-6-7/h2*2-6H2,1H3.
What are the key properties of 1-methylpiperidine?
1-methylpiperidine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine is sourced from PubChem (CID 90254979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).