3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine

C14H25N3O — CID 91834260

IUPAC3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
SMILESCCCOC1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C14H25N3O/c1-2-12-18-14-6-3-8-16(13-14)9-5-11-17-10-4-7-15-17/h4,7,10,14H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyJNZSBWFGEZUFJA-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.16
Rot. Bonds7

About 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine

3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine (PubChem CID 91834260) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine.

Molecular Properties

Compound Name3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
PubChem CID91834260
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine
SMILESCCCOC1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C14H25N3O/c1-2-12-18-14-6-3-8-16(13-14)9-5-11-17-10-4-7-15-17/h4,7,10,14H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyJNZSBWFGEZUFJA-UHFFFAOYSA-N
XLogP2.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-pyrazol-1-ylpropyl)-3-pyrrolidin-1-ylpiperidine
CID 56718569
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
3-propoxy-1-(3-pyrrolidin-2-ylpropyl)piperidine
CID 62480120
[2-[2-(3-propoxypiperidin-1-yl)ethyl]phenyl]methanamine
CID 81322503
2-[2-(3-propoxypiperidin-1-yl)ethyl]aniline
CID 62495233
4-ethoxy-N-[2-(3-propoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62557776
[4-[(3-propoxypiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888050
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
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
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine?
The IUPAC name of 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine (CID 91834260) is 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine.
What is the SMILES notation for 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine?
The canonical SMILES for 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine is CCCOC1CCCN(CCCn2cccn2)C1.
What is the InChIKey of 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine?
The InChIKey is JNZSBWFGEZUFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-12-18-14-6-3-8-16(13-14)9-5-11-17-10-4-7-15-17/h4,7,10,14H,2-3,5-6,8-9,11-13H2,1H3.
What are the key properties of 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine?
3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine has a molecular weight of 251.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-(3-pyrazol-1-ylpropyl)piperidine is sourced from PubChem (CID 91834260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).