1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine

C14H24N2 — CID 71150923

IUPAC1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine
SMILESCC#CC1(N2CCN(C)CC2)CCCCC1
InChIInChI=1S/C14H24N2/c1-3-7-14(8-5-4-6-9-14)16-12-10-15(2)11-13-16/h4-6,8-13H2,1-2H3
InChIKeyIJHKDAGUVUPIKN-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.96
Rot. Bonds1

About 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine

1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine (PubChem CID 71150923) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine
PubChem CID71150923
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine
SMILESCC#CC1(N2CCN(C)CC2)CCCCC1
InChIInChI=1S/C14H24N2/c1-3-7-14(8-5-4-6-9-14)16-12-10-15(2)11-13-16/h4-6,8-13H2,1-2H3
InChIKeyIJHKDAGUVUPIKN-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine?
The IUPAC name of 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine (CID 71150923) is 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine?
The canonical SMILES for 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine is CC#CC1(N2CCN(C)CC2)CCCCC1.
What is the InChIKey of 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine?
The InChIKey is IJHKDAGUVUPIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-7-14(8-5-4-6-9-14)16-12-10-15(2)11-13-16/h4-6,8-13H2,1-2H3.
What are the key properties of 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine?
1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine has a molecular weight of 220.36 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-prop-1-ynylcyclohexyl)piperazine is sourced from PubChem (CID 71150923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).