N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine

C16H22N4 — CID 143096898

IUPACN,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
SMILESCN(C)C1=CC=c2ccnc(N3CCNCC3)c2=CC1
InChIInChI=1S/C16H22N4/c1-19(2)14-4-3-13-7-8-18-16(15(13)6-5-14)20-11-9-17-10-12-20/h3-4,6-8,17H,5,9-12H2,1-2H3
InChIKeyCZZOFXKZEPLHKQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.10
Rot. Bonds2

About N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine

N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine (PubChem CID 143096898) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
PubChem CID143096898
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine
SMILESCN(C)C1=CC=c2ccnc(N3CCNCC3)c2=CC1
InChIInChI=1S/C16H22N4/c1-19(2)14-4-3-13-7-8-18-16(15(13)6-5-14)20-11-9-17-10-12-20/h3-4,6-8,17H,5,9-12H2,1-2H3
InChIKeyCZZOFXKZEPLHKQ-UHFFFAOYSA-N
XLogP-0.10
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4E)-5-methylidene-4-[(E)-3-methylpent-2-enylidene]-6-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
CID 71156008
N'-ethyl-N-methyl-N'-[(3E)-3-[(Z)-4,4,4-trifluoro-3-(methylamino)but-2-enylidene]-4H-pyridin-2-yl]propane-1,3-diamine
CID 143235798
(3E)-N-[(E)-but-1-enyl]-3-[1-(3-methylpiperazin-1-yl)ethylidene]-4-(trifluoromethyl)pyrrol-2-amine
CID 168184846
(3E)-N-[(E)-but-1-enyl]-5-methyl-3-[1-(3-methylpiperazin-1-yl)ethylidene]-4-(trifluoromethyl)-1H-pyrrol-2-imine
CID 168186058
(3E)-N-[(E)-but-1-enyl]-3-[1-(2-methylpiperazin-1-yl)ethylidene]-4-(trifluoromethyl)pyrrol-2-amine
CID 168186220
1-N-[(3E,4Z)-6-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-4-(aminomethylidene)-3-prop-2-enylidene-2-pyridinyl]-2-methylpropane-1,2-diamine
CID 89231364
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
1-But-1-en-2-yl-5-(3,3-dimethylpiperazin-1-yl)-3-methylpyridin-2-imine
CID 123733887
1-[(2S)-5,6-dimethyl-1,2-dihydropyridin-2-yl]-2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-iminoethanamine
CID 126627493
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
CID 130216918
6-ethyl-2-piperazin-1-yl-3H-azepine
CID 132001988

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine?
The IUPAC name of N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine (CID 143096898) is N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine.
What is the SMILES notation for N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine?
The canonical SMILES for N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine is CN(C)C1=CC=c2ccnc(N3CCNCC3)c2=CC1.
What is the InChIKey of N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine?
The InChIKey is CZZOFXKZEPLHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19(2)14-4-3-13-7-8-18-16(15(13)6-5-14)20-11-9-17-10-12-20/h3-4,6-8,17H,5,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine?
N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine has a molecular weight of 270.38 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-piperazin-1-yl-8H-cyclohepta[c]pyridin-7-amine is sourced from PubChem (CID 143096898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).