1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine

C12H18ClN — CID 142532115

IUPAC1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine
SMILESCC1CCN(C2=C(Cl)CCC=C2)CC1
InChIInChI=1S/C12H18ClN/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h3,5,10H,2,4,6-9H2,1H3
InChIKeyUGGRSIQLHDJYQS-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.52
Rot. Bonds1

About 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine

1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine (PubChem CID 142532115) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine
PubChem CID142532115
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine
SMILESCC1CCN(C2=C(Cl)CCC=C2)CC1
InChIInChI=1S/C12H18ClN/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h3,5,10H,2,4,6-9H2,1H3
InChIKeyUGGRSIQLHDJYQS-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The IUPAC name of 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine (CID 142532115) is 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The canonical SMILES for 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine is CC1CCN(C2=C(Cl)CCC=C2)CC1.
What is the InChIKey of 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
The InChIKey is UGGRSIQLHDJYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-10-6-8-14(9-7-10)12-5-3-2-4-11(12)13/h3,5,10H,2,4,6-9H2,1H3.
What are the key properties of 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine?
1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine has a molecular weight of 211.74 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine is sourced from PubChem (CID 142532115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).