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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Related Compounds

(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
CID 143269798
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807

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).