1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine

C18H31N3 — CID 168870455

IUPAC1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(C3=CC=CC(C)(C)C3)CC2)CC1
InChIInChI=1S/C18H31N3/c1-18(2)8-4-5-17(15-18)20-9-6-16(7-10-20)21-13-11-19(3)12-14-21/h4-5,8,16H,6-7,9-15H2,1-3H3
InChIKeyIOMHZVIJOVQCPT-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.57
Rot. Bonds2

About 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine

1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine (PubChem CID 168870455) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
PubChem CID168870455
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(C3=CC=CC(C)(C)C3)CC2)CC1
InChIInChI=1S/C18H31N3/c1-18(2)8-4-5-17(15-18)20-9-6-16(7-10-20)21-13-11-19(3)12-14-21/h4-5,8,16H,6-7,9-15H2,1-3H3
InChIKeyIOMHZVIJOVQCPT-UHFFFAOYSA-N
XLogP2.57
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-Fluorocyclohexa-1,5-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
CID 173009685
1-methyl-6-(piperidin-1-ylmethyl)-2-propan-2-yl-2H-pyridine
CID 121480627
1-[4-[(4E)-4-[(2Z)-2-ethenylpenta-2,4-dienylidene]cyclohexa-1,5-dien-1-yl]but-1-en-2-yl]-4-methylpiperazine
CID 137382270
1-(5-Ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine
CID 139400853
1-[(2E,5Z)-4-methylidenehepta-2,5-dien-2-yl]-4-(4-piperidin-1-ylbutyl)piperazine
CID 142187221
1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine;ethane
CID 143257800
ethane;1-methyl-4-[1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperidin-4-yl]piperazine
CID 144607330
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-(4,4-dimethylpent-1-en-2-yl)-2-ethylpiperazine
CID 166837859
(5E)-N-ethyl-3,3-dimethyl-4-methylidene-6-(4-piperazin-1-ylpiperidin-1-yl)octa-1,5-dien-2-amine
CID 167272891
4-(3-Methylbutan-2-yl)-1-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylpiperazine
CID 168231882
1-(1-methylpiperidin-4-yl)-4-[(3E,5Z)-nona-3,5-dien-4-yl]piperazine
CID 169914453
1-Methyl-4-[1-(2-methylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]piperazine
CID 172768948

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine (CID 168870455) is 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine is CN1CCN(C2CCN(C3=CC=CC(C)(C)C3)CC2)CC1.
What is the InChIKey of 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
The InChIKey is IOMHZVIJOVQCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(2)8-4-5-17(15-18)20-9-6-16(7-10-20)21-13-11-19(3)12-14-21/h4-5,8,16H,6-7,9-15H2,1-3H3.
What are the key properties of 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine?
1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine has a molecular weight of 289.47 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 168870455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).