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

C15H27N3O — CID 99962027

IUPAC(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
SMILESCCCO[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1
InChIInChI=1S/C15H27N3O/c1-4-8-19-15-6-5-7-17(12-15)10-14-9-16-18(11-14)13(2)3/h9,11,13,15H,4-8,10,12H2,1-3H3/t15-/m0/s1
InChIKeyMPHSGIBKARPHGJ-HNNXBMFYSA-N
MW265.40 g/mol
LogP2.86
Rot. Bonds6

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

(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine (PubChem CID 99962027) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine.

Molecular Properties

Compound Name(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
PubChem CID99962027
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
SMILESCCCO[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1
InChIInChI=1S/C15H27N3O/c1-4-8-19-15-6-5-7-17(12-15)10-14-9-16-18(11-14)13(2)3/h9,11,13,15H,4-8,10,12H2,1-3H3/t15-/m0/s1
InChIKeyMPHSGIBKARPHGJ-HNNXBMFYSA-N
XLogP2.86
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
2-methoxy-5-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 77092772
(3R,4R)-3-methoxy-4-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 124620281
2-fluoro-4-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 107694025
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
3-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 82986062
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 104869799
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-propoxypiperidine
CID 134697243
(4-tert-butylphenyl)-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 45234791
2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125163722
N-[[5-[(3-propoxypiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62412948

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine?
The IUPAC name of (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine (CID 99962027) is (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine.
What is the SMILES notation for (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine?
The canonical SMILES for (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine is CCCO[C@H]1CCCN(Cc2cnn(C(C)C)c2)C1.
What is the InChIKey of (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine?
The InChIKey is MPHSGIBKARPHGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-8-19-15-6-5-7-17(12-15)10-14-9-16-18(11-14)13(2)3/h9,11,13,15H,4-8,10,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine?
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine has a molecular weight of 265.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine is sourced from PubChem (CID 99962027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).