benzene;1-methylpiperidine

C12H19N — CID 143889080

IUPACbenzene;1-methylpiperidine
SMILESCN1CCCCC1.c1ccccc1
InChIInChI=1S/C6H13N.C6H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-6H2,1H3;1-6H
InChIKeyOOUMKVVFUWTEMP-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.79
Rot. Bonds

About benzene;1-methylpiperidine

benzene;1-methylpiperidine (PubChem CID 143889080) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is benzene;1-methylpiperidine.

Molecular Properties

Compound Namebenzene;1-methylpiperidine
PubChem CID143889080
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Namebenzene;1-methylpiperidine
SMILESCN1CCCCC1.c1ccccc1
InChIInChI=1S/C6H13N.C6H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-6H2,1H3;1-6H
InChIKeyOOUMKVVFUWTEMP-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1-methylpiperidine?
The IUPAC name of benzene;1-methylpiperidine (CID 143889080) is benzene;1-methylpiperidine.
What is the SMILES notation for benzene;1-methylpiperidine?
The canonical SMILES for benzene;1-methylpiperidine is CN1CCCCC1.c1ccccc1.
What is the InChIKey of benzene;1-methylpiperidine?
The InChIKey is OOUMKVVFUWTEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C6H6/c1-7-5-3-2-4-6-7;1-2-4-6-5-3-1/h2-6H2,1H3;1-6H.
What are the key properties of benzene;1-methylpiperidine?
benzene;1-methylpiperidine has a molecular weight of 177.29 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-methylpiperidine is sourced from PubChem (CID 143889080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).