(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol

C14H25N3O — CID 129436530

IUPAC(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCC(C)n1cc(CN2CCC[C@H]([C@H](C)O)C2)cn1
InChIInChI=1S/C14H25N3O/c1-11(2)17-9-13(7-15-17)8-16-6-4-5-14(10-16)12(3)18/h7,9,11-12,14,18H,4-6,8,10H2,1-3H3/t12-,14-/m0/s1
InChIKeyPZUGVUZMIHVIGB-JSGCOSHPSA-N
MW251.37 g/mol
LogP2.06
Rot. Bonds4

About (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol

(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol (PubChem CID 129436530) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
PubChem CID129436530
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
SMILESCC(C)n1cc(CN2CCC[C@H]([C@H](C)O)C2)cn1
InChIInChI=1S/C14H25N3O/c1-11(2)17-9-13(7-15-17)8-16-6-4-5-14(10-16)12(3)18/h7,9,11-12,14,18H,4-6,8,10H2,1-3H3/t12-,14-/m0/s1
InChIKeyPZUGVUZMIHVIGB-JSGCOSHPSA-N
XLogP2.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol with MolForge

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Related Compounds

(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 45234791
(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
CID 99640635
[(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885805
(1R)-1-[(3R)-1-[(4-nitrophenyl)methyl]piperidin-3-yl]ethanol
CID 97086160
(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 124620281
3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 104869499
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
(2,4-dimethoxyphenyl)-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25364455
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
1-[1-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 86796019
tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate
CID 97086168

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol (CID 129436530) is (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol is CC(C)n1cc(CN2CCC[C@H]([C@H](C)O)C2)cn1.
What is the InChIKey of (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
The InChIKey is PZUGVUZMIHVIGB-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)17-9-13(7-15-17)8-16-6-4-5-14(10-16)12(3)18/h7,9,11-12,14,18H,4-6,8,10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol?
(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 129436530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).