1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine

C16H28N2 — CID 2845760

IUPAC1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
SMILESC=C(C)C1CC=C(CN2CCN(CC)CC2)CC1
InChIInChI=1S/C16H28N2/c1-4-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14(2)3/h5,16H,2,4,6-13H2,1,3H3
InChIKeyKOOXMLAKMQBXGW-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.93
Rot. Bonds4

About 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine

1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine (PubChem CID 2845760) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
PubChem CID2845760
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine
SMILESC=C(C)C1CC=C(CN2CCN(CC)CC2)CC1
InChIInChI=1S/C16H28N2/c1-4-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14(2)3/h5,16H,2,4,6-13H2,1,3H3
InChIKeyKOOXMLAKMQBXGW-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine (CID 2845760) is 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine is C=C(C)C1CC=C(CN2CCN(CC)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
The InChIKey is KOOXMLAKMQBXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-17-9-11-18(12-10-17)13-15-5-7-16(8-6-15)14(2)3/h5,16H,2,4,6-13H2,1,3H3.
What are the key properties of 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine?
1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine has a molecular weight of 248.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazine is sourced from PubChem (CID 2845760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).