1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole

C19H19F2N3 — CID 90863362

IUPAC1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole
SMILESFc1ccc(CN2CCC[C@H](n3ncc4ccccc43)C2)cc1F
InChIInChI=1S/C19H19F2N3/c20-17-8-7-14(10-18(17)21)12-23-9-3-5-16(13-23)24-19-6-2-1-4-15(19)11-22-24/h1-2,4,6-8,10-11,16H,3,5,9,12-13H2/t16-/m0/s1
InChIKeyUHFRQZOSTNTXCD-INIZCTEOSA-N
MW327.38 g/mol
LogP4.15
Rot. Bonds3

About 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole

1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole (PubChem CID 90863362) has the molecular formula C19H19F2N3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole.

Molecular Properties

Compound Name1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole
PubChem CID90863362
Molecular FormulaC19H19F2N3
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole
SMILESFc1ccc(CN2CCC[C@H](n3ncc4ccccc43)C2)cc1F
InChIInChI=1S/C19H19F2N3/c20-17-8-7-14(10-18(17)21)12-23-9-3-5-16(13-23)24-19-6-2-1-4-15(19)11-22-24/h1-2,4,6-8,10-11,16H,3,5,9,12-13H2/t16-/m0/s1
InChIKeyUHFRQZOSTNTXCD-INIZCTEOSA-N
XLogP4.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-indazol-1-ylpiperidin-1-yl)methyl]phenyl]morpholine
CID 123895819
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
1-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]indazol-5-amine
CID 68816398
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
N-cyclopentyl-1-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45234074
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
2-fluoro-5-[[(3R)-3-[4-(4-hydroxypiperidin-1-yl)-6-oxopyridazin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 129324399
2-[(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-5-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazin-3-one
CID 129324164
2-fluoro-5-[[(3S)-3-[4-(4-hydroxypiperidin-1-yl)-6-oxopyridazin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 129324400
3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110225359

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole?
The IUPAC name of 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole (CID 90863362) is 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole.
What is the SMILES notation for 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole?
The canonical SMILES for 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole is Fc1ccc(CN2CCC[C@H](n3ncc4ccccc43)C2)cc1F.
What is the InChIKey of 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole?
The InChIKey is UHFRQZOSTNTXCD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F2N3/c20-17-8-7-14(10-18(17)21)12-23-9-3-5-16(13-23)24-19-6-2-1-4-15(19)11-22-24/h1-2,4,6-8,10-11,16H,3,5,9,12-13H2/t16-/m0/s1.
What are the key properties of 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole?
1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole has a molecular weight of 327.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]indazole is sourced from PubChem (CID 90863362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).