1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine

C14H24N2 — CID 70843754

IUPAC1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine
SMILESCC1=CCC(N2CCN(C(C)C)CC2)C=C1
InChIInChI=1S/C14H24N2/c1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14/h4-6,12,14H,7-11H2,1-3H3
InChIKeyRUBLBULPPKFULQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine

1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine (PubChem CID 70843754) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine
PubChem CID70843754
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine
SMILESCC1=CCC(N2CCN(C(C)C)CC2)C=C1
InChIInChI=1S/C14H24N2/c1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14/h4-6,12,14H,7-11H2,1-3H3
InChIKeyRUBLBULPPKFULQ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine (CID 70843754) is 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine is CC1=CCC(N2CCN(C(C)C)CC2)C=C1.
What is the InChIKey of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine?
The InChIKey is RUBLBULPPKFULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)15-8-10-16(11-9-15)14-6-4-13(3)5-7-14/h4-6,12,14H,7-11H2,1-3H3.
What are the key properties of 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine?
1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine has a molecular weight of 220.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-2,4-dien-1-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 70843754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).