1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine

C12H20N2 — CID 12796094

IUPAC1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2=CCC=CC2)CC1
InChIInChI=1S/C12H20N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-2,5,12H,3-4,6-10,13H2
InChIKeyXXGVZOKYDBIVSD-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.69
Rot. Bonds2

About 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine

1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine (PubChem CID 12796094) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine
PubChem CID12796094
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2=CCC=CC2)CC1
InChIInChI=1S/C12H20N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-2,5,12H,3-4,6-10,13H2
InChIKeyXXGVZOKYDBIVSD-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-amine
CID 139917011
1-[[(1E)-cycloocten-1-yl]methyl]piperidin-4-amine;hydrochloride
CID 172883218
1-benzylpiperidin-4-amine;piperazine
CID 68641719
1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidin-4-amine
CID 43556413
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
4-amino-5-chloro-N-[1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-yl]-2-methoxybenzamide;hydrate;hydrochloride
CID 70607387
1-[(4-piperazin-1-ylphenyl)methyl]piperidin-4-amine
CID 70892281
1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine
CID 124907982
1-(pyrazin-2-ylmethyl)piperidin-4-amine
CID 43556640
1-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 22748866
4-amino-N-[1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-yl]-5-nitro-2-prop-2-enoxybenzamide
CID 12796105
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine (CID 12796094) is 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine is NC1CCN(CC2=CCC=CC2)CC1.
What is the InChIKey of 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine?
The InChIKey is XXGVZOKYDBIVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-2,5,12H,3-4,6-10,13H2.
What are the key properties of 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine?
1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine has a molecular weight of 192.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,4-dien-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 12796094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).