3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine

C15H20F2N2 — CID 105409901

IUPAC3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
SMILESCC1(C2CC2)CN(Cc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C15H20F2N2/c1-15(12-2-3-12)10-19(5-4-18-15)9-11-6-13(16)8-14(17)7-11/h6-8,12,18H,2-5,9-10H2,1H3
InChIKeyKPBUKUMCIWCHKC-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.54
Rot. Bonds3

About 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine

3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine (PubChem CID 105409901) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
PubChem CID105409901
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
SMILESCC1(C2CC2)CN(Cc2cc(F)cc(F)c2)CCN1
InChIInChI=1S/C15H20F2N2/c1-15(12-2-3-12)10-19(5-4-18-15)9-11-6-13(16)8-14(17)7-11/h6-8,12,18H,2-5,9-10H2,1H3
InChIKeyKPBUKUMCIWCHKC-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylpiperazine
CID 64832099
6-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 64831911
3-cyclopropyl-3-methyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952174
3-cyclopropyl-1-[(3,4-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64869909
5-[(3-cyclopropyl-3-methylpiperazin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64925154
3-cyclopropyl-1-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazine
CID 64955002
3-cyclopropyl-3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016188
3-cyclopropyl-3-methyl-1-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 64871682
3-cyclopropyl-3-methyl-1-octylpiperazine
CID 64833492
3-(3-cyclopropyl-3-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64924654
1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropyl-3-methylpiperazine
CID 65325766
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 105409991

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine (CID 105409901) is 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine is CC1(C2CC2)CN(Cc2cc(F)cc(F)c2)CCN1.
What is the InChIKey of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine?
The InChIKey is KPBUKUMCIWCHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-15(12-2-3-12)10-19(5-4-18-15)9-11-6-13(16)8-14(17)7-11/h6-8,12,18H,2-5,9-10H2,1H3.
What are the key properties of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine?
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine has a molecular weight of 266.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 105409901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).