1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine

C14H23N3 — CID 144643423

IUPAC1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2=CCC=C(N)C=C2)CC1
InChIInChI=1S/C14H23N3/c1-16(2)13-8-10-17(11-9-13)14-5-3-4-12(15)6-7-14/h4-7,13H,3,8-11,15H2,1-2H3
InChIKeyNARCRGKLZPKGPC-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.70
Rot. Bonds2

About 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine

1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 144643423) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID144643423
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2=CCC=C(N)C=C2)CC1
InChIInChI=1S/C14H23N3/c1-16(2)13-8-10-17(11-9-13)14-5-3-4-12(15)6-7-14/h4-7,13H,3,8-11,15H2,1-2H3
InChIKeyNARCRGKLZPKGPC-UHFFFAOYSA-N
XLogP1.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 146517316
1-N,1-N-diethylcyclohexa-3,5-diene-1,3-diamine
CID 21525081
2-(1,2-dimethyl-2H-pyridin-6-yl)ethanamine
CID 21695882
1-Methyl-2-piperidin-1-ylcyclohexa-3,5-diene-1,3-diamine
CID 70587655
N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 70797133
4-(4-Piperidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
CID 70994776
4-(4-Pyrrolidin-1-ylpiperidin-1-yl)cyclohexa-1,5-dien-1-amine
CID 70994777
1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
CID 70994787
1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine
CID 87152342
(1E,3Z)-2-[4-(dimethylamino)piperidin-1-yl]hexa-1,3,5-triene-1,5-diamine
CID 87688619
(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine
CID 88905163
1-[(3E,5Z)-6-aminohepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 88916911

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine (CID 144643423) is 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2=CCC=C(N)C=C2)CC1.
What is the InChIKey of 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is NARCRGKLZPKGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16(2)13-8-10-17(11-9-13)14-5-3-4-12(15)6-7-14/h4-7,13H,3,8-11,15H2,1-2H3.
What are the key properties of 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine?
1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 233.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 144643423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).