4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid

C16H18ClN3O3 — CID 164580008

IUPAC4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid
SMILESCC(O)(c1ccc2cnc(Cl)cc2n1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H18ClN3O3/c1-16(23,11-4-6-20(7-5-11)15(21)22)13-3-2-10-9-18-14(17)8-12(10)19-13/h2-3,8-9,11,23H,4-7H2,1H3,(H,21,22)
InChIKeyKNUQBXYCSIHNTI-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.88
Rot. Bonds2

About 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid

4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid (PubChem CID 164580008) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid
PubChem CID164580008
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid
SMILESCC(O)(c1ccc2cnc(Cl)cc2n1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C16H18ClN3O3/c1-16(23,11-4-6-20(7-5-11)15(21)22)13-3-2-10-9-18-14(17)8-12(10)19-13/h2-3,8-9,11,23H,4-7H2,1H3,(H,21,22)
InChIKeyKNUQBXYCSIHNTI-UHFFFAOYSA-N
XLogP2.88
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
CID 166940512
4-(3-chloroisoquinolin-6-yl)piperazine-1-carboxylic acid
CID 87799589
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
CID 91225610
4-(6-tert-butyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 170165614
(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439898
4-[1-fluoro-1-[(6-methoxy-3-pyridinyl)sulfonyl]ethyl]piperidine-1-carboxylic acid
CID 122424268
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
2-[1-(2-chloro-5-iodo-4-pyridinyl)piperidin-4-yl]propan-2-ol
CID 167426940
ethyl 2-(7-chloro-1,6-naphthyridin-2-yl)-2-piperidin-4-ylacetate
CID 156719479
2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazoline-7-carboxylic acid
CID 58082225
4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 172731274

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid (CID 164580008) is 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid is CC(O)(c1ccc2cnc(Cl)cc2n1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid?
The InChIKey is KNUQBXYCSIHNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-16(23,11-4-6-20(7-5-11)15(21)22)13-3-2-10-9-18-14(17)8-12(10)19-13/h2-3,8-9,11,23H,4-7H2,1H3,(H,21,22).
What are the key properties of 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid?
4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid has a molecular weight of 335.79 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-chloro-1,6-naphthyridin-2-yl)-1-hydroxyethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 164580008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).