1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid

C17H32N2O2 — CID 61020567

IUPAC1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCCCCCCN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C17H32N2O2/c1-2-3-4-5-6-11-18-13-9-15(10-14-18)19-12-7-8-16(19)17(20)21/h15-16H,2-14H2,1H3,(H,20,21)
InChIKeyVBSJSSUALMFOII-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.97
Rot. Bonds8

About 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid

1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 61020567) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID61020567
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCCCCCCCN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C17H32N2O2/c1-2-3-4-5-6-11-18-13-9-15(10-14-18)19-12-7-8-16(19)17(20)21/h15-16H,2-14H2,1H3,(H,20,21)
InChIKeyVBSJSSUALMFOII-UHFFFAOYSA-N
XLogP2.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[3-(dimethylamino)propyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114525886
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020451
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65065192
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
CID 172742310
CID 172742310
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983

Frequently Asked Questions

What is the IUPAC name of 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (CID 61020567) is 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is CCCCCCCN1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is VBSJSSUALMFOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-3-4-5-6-11-18-13-9-15(10-14-18)19-12-7-8-16(19)17(20)21/h15-16H,2-14H2,1H3,(H,20,21).
What are the key properties of 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid?
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61020567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).