2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid

C14H27NO3 — CID 10658819

IUPAC2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid
SMILESCCCCC[C@H]1CCC[C@H](CC(=O)O)N1CCO
InChIInChI=1S/C14H27NO3/c1-2-3-4-6-12-7-5-8-13(11-14(17)18)15(12)9-10-16/h12-13,16H,2-11H2,1H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyBBWGXHKVOKITQA-QWHCGFSZSA-N
MW257.37 g/mol
LogP2.26
Rot. Bonds8

About 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid

2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid (PubChem CID 10658819) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid
PubChem CID10658819
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid
SMILESCCCCC[C@H]1CCC[C@H](CC(=O)O)N1CCO
InChIInChI=1S/C14H27NO3/c1-2-3-4-6-12-7-5-8-13(11-14(17)18)15(12)9-10-16/h12-13,16H,2-11H2,1H3,(H,17,18)/t12-,13+/m0/s1
InChIKeyBBWGXHKVOKITQA-QWHCGFSZSA-N
XLogP2.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
2-nonylpiperidine-1-carboxylic acid
CID 69469776
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
CID 101061873
2-[2-heptadecyl-3-(2-hydroxyethyl)imidazolidin-1-yl]acetic acid
CID 19599074
2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61447659
7-[1-(2-oxoheptanoyl)pyrrolidin-2-yl]heptanoic acid
CID 58958696
1-methyl-2-tetradecylpyrrolidine
CID 24796983
2-[(2S)-1-[3-(hexanoylamino)propyl]pyrrolidin-2-yl]acetic acid
CID 24762741
3-(2-octylcyclopentyl)propanoic acid
CID 57357948
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184
1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
CID 143089491

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid (CID 10658819) is 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid is CCCCC[C@H]1CCC[C@H](CC(=O)O)N1CCO.
What is the InChIKey of 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid?
The InChIKey is BBWGXHKVOKITQA-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-3-4-6-12-7-5-8-13(11-14(17)18)15(12)9-10-16/h12-13,16H,2-11H2,1H3,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid?
2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid has a molecular weight of 257.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-(2-hydroxyethyl)-6-pentylpiperidin-2-yl]acetic acid is sourced from PubChem (CID 10658819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).