piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol

C12H21N3O — CID 84735522

IUPACpiperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)C2CCCCN2)cn1
InChIInChI=1S/C12H21N3O/c1-9(2)15-8-10(7-14-15)12(16)11-5-3-4-6-13-11/h7-9,11-13,16H,3-6H2,1-2H3
InChIKeyLHNBQBMHJIEXJF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.64
Rot. Bonds3

About piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol

piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol (PubChem CID 84735522) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namepiperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol
PubChem CID84735522
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Namepiperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol
SMILESCC(C)n1cc(C(O)C2CCCCN2)cn1
InChIInChI=1S/C12H21N3O/c1-9(2)15-8-10(7-14-15)12(16)11-5-3-4-6-13-11/h7-9,11-13,16H,3-6H2,1-2H3
InChIKeyLHNBQBMHJIEXJF-UHFFFAOYSA-N
XLogP1.64
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-4-pyrrolidin-2-ylpyrazole
CID 83828132
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
azepan-2-yl-(3-methylimidazol-4-yl)methanol
CID 66117137
cis-(1R,2S)-N-methyl-2-[[(1R)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 98870222
2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
CID 112709525
(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
CID 64866585
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544
(2S)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 62902493
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
[(2S)-pyrrolidin-2-yl]-(1,2-thiazol-4-yl)methanol
CID 164662100
1-(1-propan-2-ylpyrazol-4-yl)ethanethiol
CID 126561609
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944

Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol?
The IUPAC name of piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol (CID 84735522) is piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol.
What is the SMILES notation for piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol?
The canonical SMILES for piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol is CC(C)n1cc(C(O)C2CCCCN2)cn1.
What is the InChIKey of piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol?
The InChIKey is LHNBQBMHJIEXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-8-10(7-14-15)12(16)11-5-3-4-6-13-11/h7-9,11-13,16H,3-6H2,1-2H3.
What are the key properties of piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol?
piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol is sourced from PubChem (CID 84735522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).