(2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine

C14H24N2 — CID 141126800

IUPAC(2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CC=CCC2)[C@@H](C)C1
InChIInChI=1S/C14H24N2/c1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14/h4-5,7,12-13H,6,8-11H2,1-3H3/t13-/m0/s1
InChIKeyUMPPFUHSUHHWTI-ZDUSSCGKSA-N
MW220.36 g/mol
LogP2.63
Rot. Bonds2

About (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine

(2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine (PubChem CID 141126800) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine
PubChem CID141126800
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CC=CCC2)[C@@H](C)C1
InChIInChI=1S/C14H24N2/c1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14/h4-5,7,12-13H,6,8-11H2,1-3H3/t13-/m0/s1
InChIKeyUMPPFUHSUHHWTI-ZDUSSCGKSA-N
XLogP2.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyltetrahydroquinoxaline
CID 129794484
(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 71154189
(2R)-4-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 90268007
1-(4-Fluorocyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 129209135
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-Methyl-4-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperazine
CID 142129067
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
CID 144662376

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine?
The IUPAC name of (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine (CID 141126800) is (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine is CC(C)N1CCN(C2=CC=CCC2)[C@@H](C)C1.
What is the InChIKey of (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine?
The InChIKey is UMPPFUHSUHHWTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)15-9-10-16(13(3)11-15)14-7-5-4-6-8-14/h4-5,7,12-13H,6,8-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine?
(2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine has a molecular weight of 220.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexa-1,3-dien-1-yl-2-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 141126800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).