2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

C19H27N3O — CID 77089209

IUPAC2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1cccc(C2CCCN(Cc3cn(CCO)nc3C)C2)c1
InChIInChI=1S/C19H27N3O/c1-15-5-3-6-17(11-15)18-7-4-8-21(12-18)13-19-14-22(9-10-23)20-16(19)2/h3,5-6,11,14,18,23H,4,7-10,12-13H2,1-2H3
InChIKeyVKSWHRBDOUBHGD-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.87
Rot. Bonds5

About 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 77089209) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID77089209
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1cccc(C2CCCN(Cc3cn(CCO)nc3C)C2)c1
InChIInChI=1S/C19H27N3O/c1-15-5-3-6-17(11-15)18-7-4-8-21(12-18)13-19-14-22(9-10-23)20-16(19)2/h3,5-6,11,14,18,23H,4,7-10,12-13H2,1-2H3
InChIKeyVKSWHRBDOUBHGD-UHFFFAOYSA-N
XLogP2.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 99928263
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
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
(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
CID 95889064
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
CID 131924193
3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine
CID 131922870
2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 95388512
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70740164
[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95144268
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589874

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 77089209) is 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is Cc1cccc(C2CCCN(Cc3cn(CCO)nc3C)C2)c1.
What is the InChIKey of 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is VKSWHRBDOUBHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15-5-3-6-17(11-15)18-7-4-8-21(12-18)13-19-14-22(9-10-23)20-16(19)2/h3,5-6,11,14,18,23H,4,7-10,12-13H2,1-2H3.
What are the key properties of 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 313.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 77089209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).