2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid

C13H18ClN3O2 — CID 106814280

IUPAC2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c14-11-7-15-4-3-12(11)17-5-1-2-10(9-17)6-16-8-13(18)19/h3-4,7,10,16H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyHLQBTDYZKSWIPN-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.63
Rot. Bonds5

About 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814280) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814280
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C13H18ClN3O2/c14-11-7-15-4-3-12(11)17-5-1-2-10(9-17)6-16-8-13(18)19/h3-4,7,10,16H,1-2,5-6,8-9H2,(H,18,19)
InChIKeyHLQBTDYZKSWIPN-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
CID 80674261
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
1-(3-chloro-4-pyridinyl)-N-cyclopropylpiperidine-3-carboxamide
CID 165434408
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
CID 106814327
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133469712

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid (CID 106814280) is 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(c2ccncc2Cl)C1.
What is the InChIKey of 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is HLQBTDYZKSWIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-11-7-15-4-3-12(11)17-5-1-2-10(9-17)6-16-8-13(18)19/h3-4,7,10,16H,1-2,5-6,8-9H2,(H,18,19).
What are the key properties of 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 283.76 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).