2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol

C19H29N5O — CID 51635125

IUPAC2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
SMILESCc1cccc(CN2CCN(CCCn3cccn3)C[C@@H]2CCO)n1
InChIInChI=1S/C19H29N5O/c1-17-5-2-6-18(21-17)15-23-13-12-22(16-19(23)7-14-25)9-4-11-24-10-3-8-20-24/h2-3,5-6,8,10,19,25H,4,7,9,11-16H2,1H3/t19-/m0/s1
InChIKeyYIDXDIANQXOZNA-IBGZPJMESA-N
MW343.47 g/mol
LogP1.55
Rot. Bonds8

About 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol

2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol (PubChem CID 51635125) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
PubChem CID51635125
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
SMILESCc1cccc(CN2CCN(CCCn3cccn3)C[C@@H]2CCO)n1
InChIInChI=1S/C19H29N5O/c1-17-5-2-6-18(21-17)15-23-13-12-22(16-19(23)7-14-25)9-4-11-24-10-3-8-20-24/h2-3,5-6,8,10,19,25H,4,7,9,11-16H2,1H3/t19-/m0/s1
InChIKeyYIDXDIANQXOZNA-IBGZPJMESA-N
XLogP1.55
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(5-methylfuran-2-yl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 45169245
2-[(2R)-1-[(4-fluorophenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51636339
2-[1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol
CID 45221913
2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98648561
2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
CID 98579116
2-[(2R)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98571195
2-ethoxy-6-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenol
CID 45232523
1-[4-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone
CID 28822554
2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45208876
2-[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45194648
2-[(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98575645
2-[(2R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol (CID 51635125) is 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol is Cc1cccc(CN2CCN(CCCn3cccn3)C[C@@H]2CCO)n1.
What is the InChIKey of 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
The InChIKey is YIDXDIANQXOZNA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N5O/c1-17-5-2-6-18(21-17)15-23-13-12-22(16-19(23)7-14-25)9-4-11-24-10-3-8-20-24/h2-3,5-6,8,10,19,25H,4,7,9,11-16H2,1H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol?
2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol has a molecular weight of 343.47 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 51635125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).