4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine

C12H20N2 — CID 123942003

IUPAC4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCN1CCC(C2=CCC(N)C=C2)CC1
InChIInChI=1S/C12H20N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-4,11-12H,5-9,13H2,1H3
InChIKeyGPNUELOYUSLBDR-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.54
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine

4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 123942003) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
PubChem CID123942003
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
SMILESCN1CCC(C2=CCC(N)C=C2)CC1
InChIInChI=1S/C12H20N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-4,11-12H,5-9,13H2,1H3
InChIKeyGPNUELOYUSLBDR-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-amine
CID 53407205
Octahydro 4,4'-bipyridyl
CID 4867470
Hexahydroisoquinoline
CID 54394851
2-Ethyltetrahydroisoquinoline
CID 129739616
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
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
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
2-[2-(4-Ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
CID 123501782
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine (CID 123942003) is 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine is CN1CCC(C2=CCC(N)C=C2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is GPNUELOYUSLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-4,11-12H,5-9,13H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine?
4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123942003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).