4-hydroxy-6-propylpiperidine-3-carboxylic acid

C9H17NO3 — CID 130146203

IUPAC4-hydroxy-6-propylpiperidine-3-carboxylic acid
SMILESCCCC1CC(O)C(C(=O)O)CN1
InChIInChI=1S/C9H17NO3/c1-2-3-6-4-8(11)7(5-10-6)9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeySICUJFLGMNGVRL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.21
Rot. Bonds3

About 4-hydroxy-6-propylpiperidine-3-carboxylic acid

4-hydroxy-6-propylpiperidine-3-carboxylic acid (PubChem CID 130146203) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-hydroxy-6-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-6-propylpiperidine-3-carboxylic acid
PubChem CID130146203
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-hydroxy-6-propylpiperidine-3-carboxylic acid
SMILESCCCC1CC(O)C(C(=O)O)CN1
InChIInChI=1S/C9H17NO3/c1-2-3-6-4-8(11)7(5-10-6)9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13)
InChIKeySICUJFLGMNGVRL-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-2-propylpyrrolidine
CID 170743275
2-methyl-5-propylpyrrolidin-3-ol
CID 102568650
6-pentylpiperidine-3,4-diol
CID 122657014
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
2-propylaziridine
CID 544792
(2S,3R)-2-methylazetidine-3-carboxylic acid
CID 124580692
2-methylazetidine-3-carboxylic acid
CID 21293290
(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol
CID 10402448
(3R)-4-hydroxy-5-methylpyrrolidine-3-carboxylic acid
CID 18660153
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
4-hydroxy-6-(6-methyl-1H-indol-3-yl)piperidine-3-carboxylic acid
CID 82667470
3-amino-2-propylcyclobutane-1-carboxylic acid
CID 123989356

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-propylpiperidine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-6-propylpiperidine-3-carboxylic acid (CID 130146203) is 4-hydroxy-6-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-6-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-6-propylpiperidine-3-carboxylic acid is CCCC1CC(O)C(C(=O)O)CN1.
What is the InChIKey of 4-hydroxy-6-propylpiperidine-3-carboxylic acid?
The InChIKey is SICUJFLGMNGVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-6-4-8(11)7(5-10-6)9(12)13/h6-8,10-11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-hydroxy-6-propylpiperidine-3-carboxylic acid?
4-hydroxy-6-propylpiperidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 130146203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).