1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine

C13H23N3 — CID 70994787

IUPAC1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2C=CC(N)=CC2)CC1
InChIInChI=1S/C13H23N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3-5,12-13H,6-10,14H2,1-2H3
InChIKeyFUOGWHFWMWBNSV-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.18
Rot. Bonds2

About 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine

1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 70994787) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID70994787
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(C2C=CC(N)=CC2)CC1
InChIInChI=1S/C13H23N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3-5,12-13H,6-10,14H2,1-2H3
InChIKeyFUOGWHFWMWBNSV-UHFFFAOYSA-N
XLogP1.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine (CID 70994787) is 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(C2C=CC(N)=CC2)CC1.
What is the InChIKey of 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is FUOGWHFWMWBNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3-5,12-13H,6-10,14H2,1-2H3.
What are the key properties of 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine?
1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 70994787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).