1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine

C13H22N2 — CID 118873050

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H22N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h3,5-6,13-14H,2,4,7-11H2,1H3
InChIKeyCTJGDZCYHGAVSC-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.95
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine

1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine (PubChem CID 118873050) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine
PubChem CID118873050
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C13H22N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h3,5-6,13-14H,2,4,7-11H2,1H3
InChIKeyCTJGDZCYHGAVSC-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine (CID 118873050) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine is CNC1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine?
The InChIKey is CTJGDZCYHGAVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-14-13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h3,5-6,13-14H,2,4,7-11H2,1H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 118873050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).