1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine

C14H19N3O — CID 124962647

IUPAC1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine
SMILESCC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H19N3O/c1-14(13-4-7-15-16-13)5-8-17(9-6-14)11-12-3-2-10-18-12/h2-4,7,10H,5-6,8-9,11H2,1H3,(H,15,16)
InChIKeyHKJHHBVAEUEIDX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.56
Rot. Bonds3

About 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine

1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 124962647) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine
PubChem CID124962647
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine
SMILESCC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1
InChIInChI=1S/C14H19N3O/c1-14(13-4-7-15-16-13)5-8-17(9-6-14)11-12-3-2-10-18-12/h2-4,7,10H,5-6,8-9,11H2,1H3,(H,15,16)
InChIKeyHKJHHBVAEUEIDX-UHFFFAOYSA-N
XLogP2.56
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1'-(furan-2-ylmethyl)-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 97375673
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
5-(3-methyloxetan-3-yl)-1H-pyrazole
CID 118194967
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594
8-(furan-2-ylmethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decane
CID 97372623
2-[[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 3861631
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine (CID 124962647) is 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine is CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is HKJHHBVAEUEIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(13-4-7-15-16-13)5-8-17(9-6-14)11-12-3-2-10-18-12/h2-4,7,10H,5-6,8-9,11H2,1H3,(H,15,16).
What are the key properties of 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine?
1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 245.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-methyl-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 124962647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).