[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

C14H23N3O — CID 95857221

IUPAC[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESC=CCn1ncc(CN2CCC[C@H](CO)C2)c1C
InChIInChI=1S/C14H23N3O/c1-3-6-17-12(2)14(8-15-17)10-16-7-4-5-13(9-16)11-18/h3,8,13,18H,1,4-7,9-11H2,2H3/t13-/m0/s1
InChIKeySAOOJVZRXJBWSR-ZDUSSCGKSA-N
MW249.36 g/mol
LogP1.58
Rot. Bonds5

About [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol

[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 95857221) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID95857221
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESC=CCn1ncc(CN2CCC[C@H](CO)C2)c1C
InChIInChI=1S/C14H23N3O/c1-3-6-17-12(2)14(8-15-17)10-16-7-4-5-13(9-16)11-18/h3,8,13,18H,1,4-7,9-11H2,2H3/t13-/m0/s1
InChIKeySAOOJVZRXJBWSR-ZDUSSCGKSA-N
XLogP1.58
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 46953235
[(3S)-1-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanol
CID 51596198
(3aR,7aS)-2-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1,3,3a,4,7,7a-hexahydroisoindole
CID 131900175
[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857205
[(3S)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857204
(3S,4R)-4-cyclopropyl-N,N-dimethyl-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 133111990
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-3-yl]methanol
CID 115879487
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
4-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 62273123
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol (CID 95857221) is [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is C=CCn1ncc(CN2CCC[C@H](CO)C2)c1C.
What is the InChIKey of [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is SAOOJVZRXJBWSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-6-17-12(2)14(8-15-17)10-16-7-4-5-13(9-16)11-18/h3,8,13,18H,1,4-7,9-11H2,2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol?
[(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 249.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95857221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).