1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine

C13H21N — CID 123223309

IUPAC1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC1=CC=C(C2CCCCN2C)CC1
InChIInChI=1S/C13H21N/c1-11-6-8-12(9-7-11)13-5-3-4-10-14(13)2/h6,8,13H,3-5,7,9-10H2,1-2H3
InChIKeyKCYFXRVNUOTHIT-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.14
Rot. Bonds1

About 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine

1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 123223309) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID123223309
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC1=CC=C(C2CCCCN2C)CC1
InChIInChI=1S/C13H21N/c1-11-6-8-12(9-7-11)13-5-3-4-10-14(13)2/h6,8,13H,3-5,7,9-10H2,1-2H3
InChIKeyKCYFXRVNUOTHIT-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine (CID 123223309) is 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine is CC1=CC=C(C2CCCCN2C)CC1.
What is the InChIKey of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is KCYFXRVNUOTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11-6-8-12(9-7-11)13-5-3-4-10-14(13)2/h6,8,13H,3-5,7,9-10H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine?
1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 191.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 123223309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).