1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine

C20H30F2N2 — CID 165128435

IUPAC1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
SMILESCC(C)(C1CCC(F)(F)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30F2N2/c1-19(2,18-8-10-20(21,22)11-9-18)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
InChIKeyKZAFOOKLURUNEO-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.41
Rot. Bonds4

About 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine

1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine (PubChem CID 165128435) has the molecular formula C20H30F2N2 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
PubChem CID165128435
Molecular FormulaC20H30F2N2
Molecular Weight336.47 g/mol
Exact Mass336.24
IUPAC Name1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine
SMILESCC(C)(C1CCC(F)(F)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30F2N2/c1-19(2,18-8-10-20(21,22)11-9-18)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
InChIKeyKZAFOOKLURUNEO-UHFFFAOYSA-N
XLogP4.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-tert-butylpiperazine
CID 3591937
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
1-benzyl-4-(2-tert-butylsulfanylethyl)piperazine;ethane
CID 90692795
9-benzyl-3-(1-fluoro-2-methylpropan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 170703028
1-benzyl-4-sulfanylpiperazine;ethane
CID 171536201
1-(1-benzylpiperidin-4-yl)-4-(2-iodopropan-2-yl)piperazine
CID 163881798
2-(4-benzylpiperazin-1-yl)-N,N,2-trimethylpropanamide
CID 22314816
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The IUPAC name of 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine (CID 165128435) is 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine is CC(C)(C1CCC(F)(F)CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
The InChIKey is KZAFOOKLURUNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N2/c1-19(2,18-8-10-20(21,22)11-9-18)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3.
What are the key properties of 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine?
1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine has a molecular weight of 336.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperazine is sourced from PubChem (CID 165128435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).