2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile

C19H20F2N4O — CID 95870143

IUPAC2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1
InChIInChI=1S/C19H20F2N4O/c20-17-4-3-14(10-18(17)21)12-24-7-8-25(13-16(24)5-9-26)19-15(11-22)2-1-6-23-19/h1-4,6,10,16,26H,5,7-9,12-13H2/t16-/m1/s1
InChIKeyPIPRUDHMCHWANO-MRXNPFEDSA-N
MW358.39 g/mol
LogP2.30
Rot. Bonds5

About 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 95870143) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID95870143
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1
InChIInChI=1S/C19H20F2N4O/c20-17-4-3-14(10-18(17)21)12-24-7-8-25(13-16(24)5-9-26)19-15(11-22)2-1-6-23-19/h1-4,6,10,16,26H,5,7-9,12-13H2/t16-/m1/s1
InChIKeyPIPRUDHMCHWANO-MRXNPFEDSA-N
XLogP2.30
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-[(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 95867165
2-[4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56883754
2-[(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 98769642
2-[(3R)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 98771608
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95897732
2-[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 95881137
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474
2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[4-(propan-2-ylamino)pyrimidin-2-yl]piperazin-2-yl]ethanol
CID 98769653
2-[(2R)-4-(3-chloro-2-pyridinyl)-1-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98769675
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622355
(6-amino-3-pyridinyl)-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 95867547

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 95870143) is 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1.
What is the InChIKey of 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PIPRUDHMCHWANO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F2N4O/c20-17-4-3-14(10-18(17)21)12-24-7-8-25(13-16(24)5-9-26)19-15(11-22)2-1-6-23-19/h1-4,6,10,16,26H,5,7-9,12-13H2/t16-/m1/s1.
What are the key properties of 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 358.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[(3,4-difluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95870143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).