tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate

C18H22ClN3O3 — CID 141441234

IUPACtert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1c1cnc2c(Cl)ccnc2c1
InChIInChI=1S/C18H22ClN3O3/c1-18(2,3)25-17(24)22-7-5-12(23)9-15(22)11-8-14-16(21-10-11)13(19)4-6-20-14/h4,6,8,10,12,15,23H,5,7,9H2,1-3H3
InChIKeyWCVOIDYHLSBDRM-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.72
Rot. Bonds1

About tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate

tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate (PubChem CID 141441234) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate
PubChem CID141441234
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Nametert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)CC1c1cnc2c(Cl)ccnc2c1
InChIInChI=1S/C18H22ClN3O3/c1-18(2,3)25-17(24)22-7-5-12(23)9-15(22)11-8-14-16(21-10-11)13(19)4-6-20-14/h4,6,8,10,12,15,23H,5,7,9H2,1-3H3
InChIKeyWCVOIDYHLSBDRM-UHFFFAOYSA-N
XLogP3.72
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68803265
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CID 65142557
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tert-butyl 2-(3-chloropyrazin-2-yl)azetidine-1-carboxylate
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tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
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tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
tert-butyl 2-[8-(3-bromo-2-chloroanilino)-1,7-naphthyridin-3-yl]pyrrolidine-1-carboxylate
CID 135148455
tert-butyl (2S)-2-(7-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)pyrrolidine-1-carboxylate
CID 58425768
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2S,4S)-2-(4-bromo-7-hydroxynaphthalen-1-yl)-4-hydroxypiperidine-1-carboxylate
CID 164586232
tert-butyl (2S,4R)-2-[(4-chloro-2-pyridinyl)oxymethyl]-4-methylpiperidine-1-carboxylate
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tert-butyl 2-(6-methoxy-5-methyl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102542392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate (CID 141441234) is tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)CC1c1cnc2c(Cl)ccnc2c1.
What is the InChIKey of tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate?
The InChIKey is WCVOIDYHLSBDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-18(2,3)25-17(24)22-7-5-12(23)9-15(22)11-8-14-16(21-10-11)13(19)4-6-20-14/h4,6,8,10,12,15,23H,5,7,9H2,1-3H3.
What are the key properties of tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate?
tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate has a molecular weight of 363.85 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(8-chloro-1,5-naphthyridin-3-yl)-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 141441234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).