1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid

C15H27NO3 — CID 65064724

IUPAC1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC2CCCOC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-5-15(14(17)18)6-8-16(9-7-15)11-13-4-3-10-19-12-13/h13H,2-12H2,1H3,(H,17,18)
InChIKeyAOKCGNKCNNNBMG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.38
Rot. Bonds5

About 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid

1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 65064724) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID65064724
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC2CCCOC2)CC1
InChIInChI=1S/C15H27NO3/c1-2-5-15(14(17)18)6-8-16(9-7-15)11-13-4-3-10-19-12-13/h13H,2-12H2,1H3,(H,17,18)
InChIKeyAOKCGNKCNNNBMG-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-oxan-3-yl]-4-propylpiperidine-4-carboxylic acid
CID 164634213
4-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxylic acid
CID 63127047
Methyl 4-[3-(hydroxymethyl)piperidin-1-yl]butanoate
CID 43590416
Ethyl 4-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]butanoate
CID 54149332
Ethyl 1-(5-hydroxypentyl)piperidine-4-carboxylate
CID 62227280
Ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate
CID 66671220
1-(4-Ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid
CID 90756499
5-(4-Ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
1-(4-Methyloxan-4-yl)piperidine-4-carboxylic acid
CID 140217098
Ethyl 1-methyl-4-(2-methylpropyl)piperidine-4-carboxylate;hydrochloride
CID 141274958
4-Ethoxycarbonyl-4-(2-methylpropyl)piperidine-1-carboxylic acid
CID 154035202
2-Methyl-2-piperidin-1-yloxane-4-carboxylic acid
CID 175051944

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid (CID 65064724) is 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CC2CCCOC2)CC1.
What is the InChIKey of 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is AOKCGNKCNNNBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-5-15(14(17)18)6-8-16(9-7-15)11-13-4-3-10-19-12-13/h13H,2-12H2,1H3,(H,17,18).
What are the key properties of 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid?
1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65064724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).