4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine

C13H23N3O — CID 71869030

IUPAC4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine
SMILESCOCC1CCN(CCCc2cn[nH]c2)CC1
InChIInChI=1S/C13H23N3O/c1-17-11-12-4-7-16(8-5-12)6-2-3-13-9-14-15-10-13/h9-10,12H,2-8,11H2,1H3,(H,14,15)
InChIKeyYHFHJBRIEOFYSO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.70
Rot. Bonds6

About 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine

4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine (PubChem CID 71869030) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine
PubChem CID71869030
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine
SMILESCOCC1CCN(CCCc2cn[nH]c2)CC1
InChIInChI=1S/C13H23N3O/c1-17-11-12-4-7-16(8-5-12)6-2-3-13-9-14-15-10-13/h9-10,12H,2-8,11H2,1H3,(H,14,15)
InChIKeyYHFHJBRIEOFYSO-UHFFFAOYSA-N
XLogP1.70
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine?
The IUPAC name of 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine (CID 71869030) is 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine.
What is the SMILES notation for 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine?
The canonical SMILES for 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine is COCC1CCN(CCCc2cn[nH]c2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine?
The InChIKey is YHFHJBRIEOFYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-17-11-12-4-7-16(8-5-12)6-2-3-13-9-14-15-10-13/h9-10,12H,2-8,11H2,1H3,(H,14,15).
What are the key properties of 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine?
4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine has a molecular weight of 237.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine is sourced from PubChem (CID 71869030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).