1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine

C14H24N2 — CID 166683848

IUPAC1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine
SMILESCC(C)C1=CCCC(N2CCN(C)CC2)=C1
InChIInChI=1S/C14H24N2/c1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16/h5,11-12H,4,6-10H2,1-3H3
InChIKeyVAEGOLQZCORDJL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.49
Rot. Bonds2

About 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine

1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine (PubChem CID 166683848) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine
PubChem CID166683848
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine
SMILESCC(C)C1=CCCC(N2CCN(C)CC2)=C1
InChIInChI=1S/C14H24N2/c1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16/h5,11-12H,4,6-10H2,1-3H3
InChIKeyVAEGOLQZCORDJL-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine?
The IUPAC name of 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine (CID 166683848) is 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine?
The canonical SMILES for 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine is CC(C)C1=CCCC(N2CCN(C)CC2)=C1.
What is the InChIKey of 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine?
The InChIKey is VAEGOLQZCORDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)13-5-4-6-14(11-13)16-9-7-15(3)8-10-16/h5,11-12H,4,6-10H2,1-3H3.
What are the key properties of 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine?
1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-ylcyclohexa-1,3-dien-1-yl)piperazine is sourced from PubChem (CID 166683848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).