2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol

C16H28N4O — CID 95388512

IUPAC2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CC(N2CCCC[C@H]2C)C1
InChIInChI=1S/C16H28N4O/c1-13-5-3-4-6-20(13)16-11-18(12-16)9-15-10-19(7-8-21)17-14(15)2/h10,13,16,21H,3-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyFKBLPZUOADOHFY-CYBMUJFWSA-N
MW292.43 g/mol
LogP1.24
Rot. Bonds5

About 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 95388512) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID95388512
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CC(N2CCCC[C@H]2C)C1
InChIInChI=1S/C16H28N4O/c1-13-5-3-4-6-20(13)16-11-18(12-16)9-15-10-19(7-8-21)17-14(15)2/h10,13,16,21H,3-9,11-12H2,1-2H3/t13-/m1/s1
InChIKeyFKBLPZUOADOHFY-CYBMUJFWSA-N
XLogP1.24
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70740164
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
(2S)-1-[1-[(1-ethylpyrazol-3-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 124751575
2-[4-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 72850855
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95144268
2-[4-[[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 95861712
2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 99928263
(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 95712860
2-[(2S)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 29212786
3-[5-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131909002
2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
CID 91833528

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 95388512) is 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CC(N2CCCC[C@H]2C)C1.
What is the InChIKey of 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is FKBLPZUOADOHFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-5-3-4-6-20(13)16-11-18(12-16)9-15-10-19(7-8-21)17-14(15)2/h10,13,16,21H,3-9,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 292.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 95388512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).