4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid

C11H15N3O2 — CID 71649668

IUPAC4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2cccnc2)CCN1
InChIInChI=1S/C11H15N3O2/c15-11(16)10-8-14(5-4-13-10)7-9-2-1-3-12-6-9/h1-3,6,10,13H,4-5,7-8H2,(H,15,16)
InChIKeyOIVHMQRRGKQDGI-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.06
Rot. Bonds3

About 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid

4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid (PubChem CID 71649668) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
PubChem CID71649668
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(Cc2cccnc2)CCN1
InChIInChI=1S/C11H15N3O2/c15-11(16)10-8-14(5-4-13-10)7-9-2-1-3-12-6-9/h1-3,6,10,13H,4-5,7-8H2,(H,15,16)
InChIKeyOIVHMQRRGKQDGI-UHFFFAOYSA-N
XLogP-0.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
4-[(6-chloro-3-pyridinyl)methyl]piperazine-2-carboxylic acid
CID 71649664
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
(2S)-4-(1,3-thiazol-5-ylmethyl)piperazine-2-carboxylic acid
CID 97169264
(2R)-4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenylmethyl)piperazine-2-carboxylic acid
CID 95549387
(6R)-1-acetyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-6-carboxylic acid
CID 95804985
(6R)-1-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-6-carboxylic acid
CID 98229184
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
(2S)-4-(1-benzylpiperidin-4-yl)piperazine-2-carboxylic acid
CID 95556952
3-propan-2-yl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64858405
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid
CID 51440497

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid (CID 71649668) is 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid is O=C(O)C1CN(Cc2cccnc2)CCN1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid?
The InChIKey is OIVHMQRRGKQDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)10-8-14(5-4-13-10)7-9-2-1-3-12-6-9/h1-3,6,10,13H,4-5,7-8H2,(H,15,16).
What are the key properties of 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid?
4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 71649668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).