1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine

C16H31FN2 — CID 170953594

IUPAC1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine
SMILESCCC1CCC(F)(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31FN2/c1-4-15-5-7-16(17,8-6-15)13-18-9-11-19(12-10-18)14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyMCKMQKCZIDXSAE-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.32
Rot. Bonds4

About 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine

1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine (PubChem CID 170953594) has the molecular formula C16H31FN2 and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine
PubChem CID170953594
Molecular FormulaC16H31FN2
Molecular Weight270.44 g/mol
Exact Mass270.25
IUPAC Name1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine
SMILESCCC1CCC(F)(CN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H31FN2/c1-4-15-5-7-16(17,8-6-15)13-18-9-11-19(12-10-18)14(2)3/h14-15H,4-13H2,1-3H3
InChIKeyMCKMQKCZIDXSAE-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine (CID 170953594) is 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine is CCC1CCC(F)(CN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is MCKMQKCZIDXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31FN2/c1-4-15-5-7-16(17,8-6-15)13-18-9-11-19(12-10-18)14(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine?
1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 270.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1-fluorocyclohexyl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170953594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).