1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine

C20H29N3O — CID 11595069

IUPAC1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine
SMILESCCN1CCCCC1CCOC(c1ccccc1)c1ccnn1C
InChIInChI=1S/C20H29N3O/c1-3-23-15-8-7-11-18(23)13-16-24-20(17-9-5-4-6-10-17)19-12-14-21-22(19)2/h4-6,9-10,12,14,18,20H,3,7-8,11,13,15-16H2,1-2H3
InChIKeyDZHSZQAYXWMRLL-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.79
Rot. Bonds7

About 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine

1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine (PubChem CID 11595069) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine
PubChem CID11595069
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine
SMILESCCN1CCCCC1CCOC(c1ccccc1)c1ccnn1C
InChIInChI=1S/C20H29N3O/c1-3-23-15-8-7-11-18(23)13-16-24-20(17-9-5-4-6-10-17)19-12-14-21-22(19)2/h4-6,9-10,12,14,18,20H,3,7-8,11,13,15-16H2,1-2H3
InChIKeyDZHSZQAYXWMRLL-UHFFFAOYSA-N
XLogP3.79
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11514934
N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
CID 69346238
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
1-methyl-2-(2-phenoxyethyl)piperidine
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1-(2-chloro-2-phenylethyl)-2-ethylpiperidine
CID 82214216
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
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2-(1-propylpiperidin-2-yl)ethyl benzoate
CID 3060654
2-(2-bromoethyl)-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015231
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266729
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339
(2S)-1-benzyl-2-propylpiperidine
CID 71407726

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine?
The IUPAC name of 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine (CID 11595069) is 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine.
What is the SMILES notation for 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine?
The canonical SMILES for 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine is CCN1CCCCC1CCOC(c1ccccc1)c1ccnn1C.
What is the InChIKey of 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine?
The InChIKey is DZHSZQAYXWMRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-3-23-15-8-7-11-18(23)13-16-24-20(17-9-5-4-6-10-17)19-12-14-21-22(19)2/h4-6,9-10,12,14,18,20H,3,7-8,11,13,15-16H2,1-2H3.
What are the key properties of 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine?
1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine has a molecular weight of 327.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine is sourced from PubChem (CID 11595069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).