1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

C19H22F3N3O — CID 130376966

IUPAC1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(c1ccc2c(c1)OCC2)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H22F3N3O/c1-13(15-3-2-14-6-9-26-18(14)10-15)24-7-4-17(5-8-24)25-12-16(11-23-25)19(20,21)22/h2-3,10-13,17H,4-9H2,1H3
InChIKeyNYDMAWVHTYZHTO-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.23
Rot. Bonds3

About 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine

1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (PubChem CID 130376966) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
PubChem CID130376966
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
SMILESCC(c1ccc2c(c1)OCC2)N1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H22F3N3O/c1-13(15-3-2-14-6-9-26-18(14)10-15)24-7-4-17(5-8-24)25-12-16(11-23-25)19(20,21)22/h2-3,10-13,17H,4-9H2,1H3
InChIKeyNYDMAWVHTYZHTO-UHFFFAOYSA-N
XLogP4.23
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 130376943
1-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 130377037
1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazine;dihydrochloride
CID 127264092
[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 130377210
4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
CID 129227656
4-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrrolidin-2-one
CID 130377006
3-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]oxetan-3-ol
CID 130366453
1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol
CID 130366543
[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-methyl-oxo-propan-2-ylimino-λ6-sulfane
CID 142414088
1-[6-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-3-pyridinyl]propan-2-ol
CID 170048089
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 130376978
8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 146415315

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine (CID 130376966) is 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is CC(c1ccc2c(c1)OCC2)N1CCC(n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
The InChIKey is NYDMAWVHTYZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-13(15-3-2-14-6-9-26-18(14)10-15)24-7-4-17(5-8-24)25-12-16(11-23-25)19(20,21)22/h2-3,10-13,17H,4-9H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine?
1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine has a molecular weight of 365.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 130376966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).