(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol

C13H21N3O — CID 95857207

IUPAC(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESC=CCn1cc(CN2CCC[C@@H](O)C2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-3-6-16-9-12(11(2)14-16)8-15-7-4-5-13(17)10-15/h3,9,13,17H,1,4-8,10H2,2H3/t13-/m1/s1
InChIKeyNRVSAGHDWDPLET-CYBMUJFWSA-N
MW235.33 g/mol
LogP1.33
Rot. Bonds4

About (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol

(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol (PubChem CID 95857207) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
PubChem CID95857207
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
SMILESC=CCn1cc(CN2CCC[C@@H](O)C2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-3-6-16-9-12(11(2)14-16)8-15-7-4-5-13(17)10-15/h3,9,13,17H,1,4-8,10H2,2H3/t13-/m1/s1
InChIKeyNRVSAGHDWDPLET-CYBMUJFWSA-N
XLogP1.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.33
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

1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine
CID 95126139
2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95800811
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 46987468
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
CID 46989875
[(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
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 56714731
3-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110220210
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 46988170
1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one
CID 46986092

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol (CID 95857207) is (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol is C=CCn1cc(CN2CCC[C@@H](O)C2)c(C)n1.
What is the InChIKey of (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is NRVSAGHDWDPLET-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-6-16-9-12(11(2)14-16)8-15-7-4-5-13(17)10-15/h3,9,13,17H,1,4-8,10H2,2H3/t13-/m1/s1.
What are the key properties of (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol?
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 95857207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).