1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine

C15H27N3O — CID 118768919

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C15H27N3O/c1-4-10-19-14-6-5-8-18(11-14)9-7-15-12(2)16-17-13(15)3/h14H,4-11H2,1-3H3,(H,16,17)
InChIKeyOOHTYNRIXRVEOW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine (PubChem CID 118768919) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine
PubChem CID118768919
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine
SMILESCCCOC1CCCN(CCc2c(C)n[nH]c2C)C1
InChIInChI=1S/C15H27N3O/c1-4-10-19-14-6-5-8-18(11-14)9-7-15-12(2)16-17-13(15)3/h14H,4-11H2,1-3H3,(H,16,17)
InChIKeyOOHTYNRIXRVEOW-UHFFFAOYSA-N
XLogP2.46
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
CID 125167692
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 62480120
2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125163722
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834260
1-[(3-propoxypiperidin-1-yl)methyl]cyclopentan-1-ol
CID 65213272
N,4,4-trimethyl-1-(3-propoxypiperidin-1-yl)pentan-3-amine
CID 55098092
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine (CID 118768919) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine is CCCOC1CCCN(CCc2c(C)n[nH]c2C)C1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine?
The InChIKey is OOHTYNRIXRVEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-10-19-14-6-5-8-18(11-14)9-7-15-12(2)16-17-13(15)3/h14H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine has a molecular weight of 265.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-propoxypiperidine is sourced from PubChem (CID 118768919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).