1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine

C16H30N2 — CID 122645118

IUPAC1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2/c1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4/h13,15-16H,3,5-12H2,1-2,4H3
InChIKeyVPDPHIVBSSFRCN-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine

1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine (PubChem CID 122645118) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine
PubChem CID122645118
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(C2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H30N2/c1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4/h13,15-16H,3,5-12H2,1-2,4H3
InChIKeyVPDPHIVBSSFRCN-UHFFFAOYSA-N
XLogP3.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine (CID 122645118) is 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(C2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is VPDPHIVBSSFRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13(2)15-5-7-16(8-6-15)18-11-9-17(10-12-18)14(3)4/h13,15-16H,3,5-12H2,1-2,4H3.
What are the key properties of 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine?
1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 122645118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).