1-piperidin-4-ylpiperidine-2-carboxylic acid

C11H20N2O2 — CID 21098979

IUPAC1-piperidin-4-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CCNCC1
InChIInChI=1S/C11H20N2O2/c14-11(15)10-3-1-2-8-13(10)9-4-6-12-7-5-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyBYPOIQPDWWDSSA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds2

About 1-piperidin-4-ylpiperidine-2-carboxylic acid

1-piperidin-4-ylpiperidine-2-carboxylic acid (PubChem CID 21098979) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-piperidin-4-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-piperidin-4-ylpiperidine-2-carboxylic acid
PubChem CID21098979
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-piperidin-4-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1CCNCC1
InChIInChI=1S/C11H20N2O2/c14-11(15)10-3-1-2-8-13(10)9-4-6-12-7-5-9/h9-10,12H,1-8H2,(H,14,15)
InChIKeyBYPOIQPDWWDSSA-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 141195485
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
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(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020224
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700
1-(3,5-dimethylcyclohexyl)piperidine-2-carboxylic acid
CID 64731455
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
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2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylpiperidine-2-carboxylic acid?
The IUPAC name of 1-piperidin-4-ylpiperidine-2-carboxylic acid (CID 21098979) is 1-piperidin-4-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-piperidin-4-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-piperidin-4-ylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpiperidine-2-carboxylic acid?
The InChIKey is BYPOIQPDWWDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)10-3-1-2-8-13(10)9-4-6-12-7-5-9/h9-10,12H,1-8H2,(H,14,15).
What are the key properties of 1-piperidin-4-ylpiperidine-2-carboxylic acid?
1-piperidin-4-ylpiperidine-2-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 21098979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).