3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid

C11H21N3O2 — CID 68707014

IUPAC3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(CN2CCNCC2)C1
InChIInChI=1S/C11H21N3O2/c15-11(16)14-5-1-2-10(9-14)8-13-6-3-12-4-7-13/h10,12H,1-9H2,(H,15,16)
InChIKeyDQDGKHCYBULMGH-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.28
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid

3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 68707014) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
PubChem CID68707014
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(CN2CCNCC2)C1
InChIInChI=1S/C11H21N3O2/c15-11(16)14-5-1-2-10(9-14)8-13-6-3-12-4-7-13/h10,12H,1-9H2,(H,15,16)
InChIKeyDQDGKHCYBULMGH-UHFFFAOYSA-N
XLogP0.28
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 94830781
3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 82023385
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
4-[(1-cyclopropylpiperidin-3-yl)methyl]piperazine-1-carboxylic acid
CID 68705249
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]piperazine-1-carboxylic acid
CID 90816538
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
4-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]methyl]piperazine-1-carboxylic acid
CID 68703994
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
CID 135149499

Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid (CID 68707014) is 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCCC(CN2CCNCC2)C1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is DQDGKHCYBULMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-11(16)14-5-1-2-10(9-14)8-13-6-3-12-4-7-13/h10,12H,1-9H2,(H,15,16).
What are the key properties of 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid?
3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 227.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68707014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).