[4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride

C17H23ClF2N2O2 — CID 128979468

IUPAC[4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride
SMILESCO[C@@H]1CN[C@H](C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)C1.Cl
InChIInChI=1S/C17H22F2N2O2.ClH/c1-23-13-9-16(20-10-13)17(22)21-6-4-11(5-7-21)12-2-3-14(18)15(19)8-12;/h2-3,8,11,13,16,20H,4-7,9-10H2,1H3;1H/t13-,16-;/m0./s1
InChIKeyRZUHWBCFHBMDJK-LINSIKMZSA-N
MW360.83 g/mol
LogP2.47
Rot. Bonds3

About [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride

[4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 128979468) has the molecular formula C17H23ClF2N2O2 and a molecular weight of 360.83 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride
PubChem CID128979468
Molecular FormulaC17H23ClF2N2O2
Molecular Weight360.83 g/mol
Exact Mass360.14
IUPAC Name[4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride
SMILESCO[C@@H]1CN[C@H](C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)C1.Cl
InChIInChI=1S/C17H22F2N2O2.ClH/c1-23-13-9-16(20-10-13)17(22)21-6-4-11(5-7-21)12-2-3-14(18)15(19)8-12;/h2-3,8,11,13,16,20H,4-7,9-10H2,1H3;1H/t13-,16-;/m0./s1
InChIKeyRZUHWBCFHBMDJK-LINSIKMZSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride (CID 128979468) is [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride is CO[C@@H]1CN[C@H](C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)C1.Cl.
What is the InChIKey of [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is RZUHWBCFHBMDJK-LINSIKMZSA-N. The full InChI is InChI=1S/C17H22F2N2O2.ClH/c1-23-13-9-16(20-10-13)17(22)21-6-4-11(5-7-21)12-2-3-14(18)15(19)8-12;/h2-3,8,11,13,16,20H,4-7,9-10H2,1H3;1H/t13-,16-;/m0./s1.
What are the key properties of [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride?
[4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 360.83 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)piperidin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 128979468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).