1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine

C12H19N — CID 90811992

IUPAC1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine
SMILESCC1CCN(CC2=CCC=C2)CC1
InChIInChI=1S/C12H19N/c1-11-6-8-13(9-7-11)10-12-4-2-3-5-12/h2,4-5,11H,3,6-10H2,1H3
InChIKeyULFHFNSTCLUELY-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.60
Rot. Bonds2

About 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine

1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine (PubChem CID 90811992) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine
PubChem CID90811992
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine
SMILESCC1CCN(CC2=CCC=C2)CC1
InChIInChI=1S/C12H19N/c1-11-6-8-13(9-7-11)10-12-4-2-3-5-12/h2,4-5,11H,3,6-10H2,1H3
InChIKeyULFHFNSTCLUELY-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine?
The IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine (CID 90811992) is 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine.
What is the SMILES notation for 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine?
The canonical SMILES for 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine is CC1CCN(CC2=CCC=C2)CC1.
What is the InChIKey of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine?
The InChIKey is ULFHFNSTCLUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11-6-8-13(9-7-11)10-12-4-2-3-5-12/h2,4-5,11H,3,6-10H2,1H3.
What are the key properties of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine?
1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine has a molecular weight of 177.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-methylpiperidine is sourced from PubChem (CID 90811992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).