3-(1H-pyrazol-4-ylmethoxy)piperidine

C9H15N3O — CID 130569410

IUPAC3-(1H-pyrazol-4-ylmethoxy)piperidine
SMILESc1n[nH]cc1COC1CCCNC1
InChIInChI=1S/C9H15N3O/c1-2-9(6-10-3-1)13-7-8-4-11-12-5-8/h4-5,9-10H,1-3,6-7H2,(H,11,12)
InChIKeyTUXUUHMAMSIPTL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.68
Rot. Bonds3

About 3-(1H-pyrazol-4-ylmethoxy)piperidine

3-(1H-pyrazol-4-ylmethoxy)piperidine (PubChem CID 130569410) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylmethoxy)piperidine.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylmethoxy)piperidine
PubChem CID130569410
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-(1H-pyrazol-4-ylmethoxy)piperidine
SMILESc1n[nH]cc1COC1CCCNC1
InChIInChI=1S/C9H15N3O/c1-2-9(6-10-3-1)13-7-8-4-11-12-5-8/h4-5,9-10H,1-3,6-7H2,(H,11,12)
InChIKeyTUXUUHMAMSIPTL-UHFFFAOYSA-N
XLogP0.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-yloxymethyl)-1H-pyrazole
CID 130569411
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine
CID 71639891
2-chloro-5-[[(3S)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639892
2-chloro-5-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71639890
(3S)-3-(thiophen-3-ylmethoxy)piperidine
CID 66247968
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
4-(1H-pyrazol-4-ylmethyl)azepan-3-ol
CID 83484653
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
2-bromo-4-[[(3R)-piperidin-3-yl]oxymethyl]pyridine;hydrochloride
CID 71636519
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 103981696
2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole
CID 129372026

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylmethoxy)piperidine?
The IUPAC name of 3-(1H-pyrazol-4-ylmethoxy)piperidine (CID 130569410) is 3-(1H-pyrazol-4-ylmethoxy)piperidine.
What is the SMILES notation for 3-(1H-pyrazol-4-ylmethoxy)piperidine?
The canonical SMILES for 3-(1H-pyrazol-4-ylmethoxy)piperidine is c1n[nH]cc1COC1CCCNC1.
What is the InChIKey of 3-(1H-pyrazol-4-ylmethoxy)piperidine?
The InChIKey is TUXUUHMAMSIPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-9(6-10-3-1)13-7-8-4-11-12-5-8/h4-5,9-10H,1-3,6-7H2,(H,11,12).
What are the key properties of 3-(1H-pyrazol-4-ylmethoxy)piperidine?
3-(1H-pyrazol-4-ylmethoxy)piperidine has a molecular weight of 181.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylmethoxy)piperidine is sourced from PubChem (CID 130569410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).