2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde

C14H22N2O2S — CID 63979718

IUPAC2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(COC)CC2)sc1C=O
InChIInChI=1S/C14H22N2O2S/c1-3-4-12-13(9-17)19-14(15-12)16-7-5-11(6-8-16)10-18-2/h9,11H,3-8,10H2,1-2H3
InChIKeyGURGQQUERJQMSW-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.77
Rot. Bonds6

About 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde

2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde (PubChem CID 63979718) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
PubChem CID63979718
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
SMILESCCCc1nc(N2CCC(COC)CC2)sc1C=O
InChIInChI=1S/C14H22N2O2S/c1-3-4-12-13(9-17)19-14(15-12)16-7-5-11(6-8-16)10-18-2/h9,11H,3-8,10H2,1-2H3
InChIKeyGURGQQUERJQMSW-UHFFFAOYSA-N
XLogP2.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-propyl-2-(4-propylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62766111
2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514260
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509017
2-[4-(dimethylamino)piperidin-1-yl]-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508976
2-(4-ethyl-4-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 55158334
4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 107509111
2-(3-methoxy-3-methylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 107395732
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 102728705
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde
CID 81469738
2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107509145
4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687435

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde (CID 63979718) is 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde is CCCc1nc(N2CCC(COC)CC2)sc1C=O.
What is the InChIKey of 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is GURGQQUERJQMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-4-12-13(9-17)19-14(15-12)16-7-5-11(6-8-16)10-18-2/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde?
2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 282.41 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperidin-1-yl]-4-propyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63979718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).