1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine

C17H33F2N3O2 — CID 177062240

IUPAC1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine
SMILESCOCCN1CCC(N2CCN(CCOC(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C17H33F2N3O2/c1-15(2)24-13-11-20-6-8-22(9-7-20)16-4-5-21(10-12-23-3)14-17(16,18)19/h15-16H,4-14H2,1-3H3
InChIKeyYAIVEVLWQANIDL-UHFFFAOYSA-N
MW349.47 g/mol
LogP1.38
Rot. Bonds8

About 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine

1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine (PubChem CID 177062240) has the molecular formula C17H33F2N3O2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine.

Molecular Properties

Compound Name1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine
PubChem CID177062240
Molecular FormulaC17H33F2N3O2
Molecular Weight349.47 g/mol
Exact Mass349.25
IUPAC Name1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine
SMILESCOCCN1CCC(N2CCN(CCOC(C)C)CC2)C(F)(F)C1
InChIInChI=1S/C17H33F2N3O2/c1-15(2)24-13-11-20-6-8-22(9-7-20)16-4-5-21(10-12-23-3)14-17(16,18)19/h15-16H,4-14H2,1-3H3
InChIKeyYAIVEVLWQANIDL-UHFFFAOYSA-N
XLogP1.38
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,3-difluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine;ethane;1-[4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
CID 177178642
1-cyclopropyl-4-(2-propan-2-yloxyethyl)piperazine
CID 166028340
(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 176796984
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
CID 170397196
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
4-(bromomethyl)-1-(2-propan-2-yloxyethyl)piperidine
CID 80677013
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
4-(1-bromoethyl)-1-(2-methoxyethyl)piperidine
CID 106838203
1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine
CID 176558852
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
ethane;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol
CID 156869049

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine?
The IUPAC name of 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine (CID 177062240) is 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine.
What is the SMILES notation for 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine?
The canonical SMILES for 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine is COCCN1CCC(N2CCN(CCOC(C)C)CC2)C(F)(F)C1.
What is the InChIKey of 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine?
The InChIKey is YAIVEVLWQANIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2N3O2/c1-15(2)24-13-11-20-6-8-22(9-7-20)16-4-5-21(10-12-23-3)14-17(16,18)19/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine?
1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine has a molecular weight of 349.47 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine is sourced from PubChem (CID 177062240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).