2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol

C18H32N4O — CID 29216590

IUPAC2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)n[nH]1
InChIInChI=1S/C18H32N4O/c1-15-11-17(20-19-15)13-21-8-9-22(18(14-21)7-10-23)12-16-5-3-2-4-6-16/h11,16,18,23H,2-10,12-14H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyLQLJRFDFTOUIGJ-SFHVURJKSA-N
MW320.48 g/mol
LogP2.17
Rot. Bonds6

About 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol

2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 29216590) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID29216590
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESCc1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)n[nH]1
InChIInChI=1S/C18H32N4O/c1-15-11-17(20-19-15)13-21-8-9-22(18(14-21)7-10-23)12-16-5-3-2-4-6-16/h11,16,18,23H,2-10,12-14H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyLQLJRFDFTOUIGJ-SFHVURJKSA-N
XLogP2.17
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16189865
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CID 16190340
2-[4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190318
2-{1-cyclopentyl-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16190729
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190812
2-{4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-isopropyl-2-piperazinyl}ethanol
CID 16190672
2-{1-(3,4-difluorobenzyl)-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
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2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190009
2-{1-(4-methylbenzyl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45209739
2-{1-isopropyl-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45218135
2-{1-(3-methyl-2-buten-1-yl)-4-[(3-methyl-1H-pyrazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 45222193
[1-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol (CID 29216590) is 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol is Cc1cc(CN2CCN(CC3CCCCC3)[C@@H](CCO)C2)n[nH]1.
What is the InChIKey of 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LQLJRFDFTOUIGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15-11-17(20-19-15)13-21-8-9-22(18(14-21)7-10-23)12-16-5-3-2-4-6-16/h11,16,18,23H,2-10,12-14H2,1H3,(H,19,20)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 320.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(cyclohexylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 29216590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).