1-methylpiperidine

C18H39N3 — CID 160757527

IUPAC1-methylpiperidine
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N/c3*1-7-5-3-2-4-6-7/h3*2-6H2,1H3
InChIKeyRXPYOWYDSXMJBZ-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.31
Rot. Bonds

About 1-methylpiperidine

1-methylpiperidine (PubChem CID 160757527) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-methylpiperidine.

Molecular Properties

Compound Name1-methylpiperidine
PubChem CID160757527
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC Name1-methylpiperidine
SMILESCN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N/c3*1-7-5-3-2-4-6-7/h3*2-6H2,1H3
InChIKeyRXPYOWYDSXMJBZ-UHFFFAOYSA-N
XLogP3.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylpiperidine
CID 90254979
CID 68772535
CID 68772535
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
methane;tris(1-methylpiperidine)
CID 162076357
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
methanamine;1-methylazepane
CID 142229560
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
CID 172772830
CID 172772830
1-methylpyrrolidine;phosphane
CID 159655297

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine?
The IUPAC name of 1-methylpiperidine (CID 160757527) is 1-methylpiperidine.
What is the SMILES notation for 1-methylpiperidine?
The canonical SMILES for 1-methylpiperidine is CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of 1-methylpiperidine?
The InChIKey is RXPYOWYDSXMJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13N/c3*1-7-5-3-2-4-6-7/h3*2-6H2,1H3.
What are the key properties of 1-methylpiperidine?
1-methylpiperidine has a molecular weight of 297.53 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine is sourced from PubChem (CID 160757527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).