(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine

C14H23N3O2 — CID 97158796

IUPAC(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
SMILESCCn1cc(CN2CCCC[C@H]2C2OCCO2)cn1
InChIInChI=1S/C14H23N3O2/c1-2-17-11-12(9-15-17)10-16-6-4-3-5-13(16)14-18-7-8-19-14/h9,11,13-14H,2-8,10H2,1H3/t13-/m0/s1
InChIKeyDJPWQTZQZBRZQA-ZDUSSCGKSA-N
MW265.36 g/mol
LogP1.63
Rot. Bonds4

About (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine

(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine (PubChem CID 97158796) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
PubChem CID97158796
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
SMILESCCn1cc(CN2CCCC[C@H]2C2OCCO2)cn1
InChIInChI=1S/C14H23N3O2/c1-2-17-11-12(9-15-17)10-16-6-4-3-5-13(16)14-18-7-8-19-14/h9,11,13-14H,2-8,10H2,1H3/t13-/m0/s1
InChIKeyDJPWQTZQZBRZQA-ZDUSSCGKSA-N
XLogP1.63
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]cyclohexan-1-one
CID 79536816
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 62128080
1-[1-[(1-ethylpyrazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338918
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 62126735
1-[(1-ethylpyrazol-4-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 77036051
2-cyclohexyl-1-[(1-ethylpyrazol-4-yl)methyl]piperazine
CID 64846043
(2S)-2-(1,3-dioxolan-2-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 95270190
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95323209
methyl (2R,3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-hydroxypiperidine-2-carboxylate
CID 129399693
4-[2-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
(3R,4R)-4-(azepan-1-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 46988813
(4aR,7aS)-1-benzyl-4-[(1-ethylpyrazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70743884

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine (CID 97158796) is (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine is CCn1cc(CN2CCCC[C@H]2C2OCCO2)cn1.
What is the InChIKey of (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
The InChIKey is DJPWQTZQZBRZQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-17-11-12(9-15-17)10-16-6-4-3-5-13(16)14-18-7-8-19-14/h9,11,13-14H,2-8,10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine?
(2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine has a molecular weight of 265.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxolan-2-yl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 97158796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).