1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane

C13H27F2N3 — CID 170578014

IUPAC1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C11H21F2N3.C2H6/c1-14-5-7-16(8-6-14)10-3-4-15(2)9-11(10,12)13;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyYLMKLSHPLCQQHS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.60
Rot. Bonds1

About 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane

1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane (PubChem CID 170578014) has the molecular formula C13H27F2N3 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
PubChem CID170578014
Molecular FormulaC13H27F2N3
Molecular Weight263.38 g/mol
Exact Mass263.22
IUPAC Name1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
SMILESCC.CN1CCN(C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C11H21F2N3.C2H6/c1-14-5-7-16(8-6-14)10-3-4-15(2)9-11(10,12)13;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyYLMKLSHPLCQQHS-UHFFFAOYSA-N
XLogP1.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
CID 170397196
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
6,6-difluoro-1,4-dimethyl-1,4-diazepane;ethane;1,4,5-trimethyl-1,4-diazepane
CID 177212485
(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 176796984
1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine
CID 177062240
1,4-dimethylpiperazine;ethane
CID 91292414
3,3-difluoro-1-methyl-N-propylpiperidin-4-amine
CID 178010503

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane?
The IUPAC name of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane (CID 170578014) is 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane.
What is the SMILES notation for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane?
The canonical SMILES for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane is CC.CN1CCN(C2CCN(C)CC2(F)F)CC1.
What is the InChIKey of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane?
The InChIKey is YLMKLSHPLCQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3.C2H6/c1-14-5-7-16(8-6-14)10-3-4-15(2)9-11(10,12)13;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane?
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane has a molecular weight of 263.38 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane is sourced from PubChem (CID 170578014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).