6-piperidin-4-ylhexanoic acid

C11H21NO2 — CID 57171296

IUPAC6-piperidin-4-ylhexanoic acid
SMILESO=C(O)CCCCCC1CCNCC1
InChIInChI=1S/C11H21NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h10,12H,1-9H2,(H,13,14)
InChIKeyXBYCQVUQIRCVEJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds6

About 6-piperidin-4-ylhexanoic acid

6-piperidin-4-ylhexanoic acid (PubChem CID 57171296) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 6-piperidin-4-ylhexanoic acid.

Molecular Properties

Compound Name6-piperidin-4-ylhexanoic acid
PubChem CID57171296
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name6-piperidin-4-ylhexanoic acid
SMILESO=C(O)CCCCCC1CCNCC1
InChIInChI=1S/C11H21NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h10,12H,1-9H2,(H,13,14)
InChIKeyXBYCQVUQIRCVEJ-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Piperidin-4-yl)propanoic acid
CID 1520806
2-(Mercaptomethyl)-3-(piperidin-3-yl)propanoic acid
CID 44440390
4-Piperidine butyric acid hydrochloride
CID 16217040
4-(Piperidin-4-yl)butanoic acid
CID 5167702
7-[(1S)-2-[3-(butylamino)propyl]cyclopentyl]heptanoic acid
CID 44333626
8-[(Cyclohexylcarbonyl)amino]octanoic acid
CID 10149309
4-(2-Methylpiperidin-4-yl)butanoic acid--hydrogen chloride (1/1)
CID 3051311
3-(3-Piperidinyl)propanoic acid hydrochloride
CID 12514714
3-(Piperidin-4-yl)propanoic acid hydrochloride
CID 21198547
2-Azaspiro[5.5]undecane-5-carboxylic acid;hydrochloride
CID 45260810
7-[(1S,2S)-2-[2-(pentylamino)ethyl]cyclopentyl]heptanoic acid
CID 90668518
(3R,4S)-4-butylpiperidine-3-carboxylic acid
CID 127029855

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-ylhexanoic acid?
The IUPAC name of 6-piperidin-4-ylhexanoic acid (CID 57171296) is 6-piperidin-4-ylhexanoic acid.
What is the SMILES notation for 6-piperidin-4-ylhexanoic acid?
The canonical SMILES for 6-piperidin-4-ylhexanoic acid is O=C(O)CCCCCC1CCNCC1.
What is the InChIKey of 6-piperidin-4-ylhexanoic acid?
The InChIKey is XBYCQVUQIRCVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-11(14)5-3-1-2-4-10-6-8-12-9-7-10/h10,12H,1-9H2,(H,13,14).
What are the key properties of 6-piperidin-4-ylhexanoic acid?
6-piperidin-4-ylhexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-ylhexanoic acid is sourced from PubChem (CID 57171296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).