[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate

C15H21ClN2O2 — CID 174622965

IUPAC[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)14(19)20-18-8-5-11(6-9-18)13-10-12(16)4-7-17-13/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyOIOPPGVYQHQGPJ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.42
Rot. Bonds2

About [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174622965) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174622965
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2cc(Cl)ccn2)CC1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)14(19)20-18-8-5-11(6-9-18)13-10-12(16)4-7-17-13/h4,7,10-11H,5-6,8-9H2,1-3H3
InChIKeyOIOPPGVYQHQGPJ-UHFFFAOYSA-N
XLogP3.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-dichlorophenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174800010
[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174813867
[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174721981
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909
[4-[(3-chloroanilino)methyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174598916
tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine
CID 174622968
[3-(4-aminophenyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174680963
[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174731871
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
[4-[(4-chlorophenyl)methyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174742092

Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174622965) is [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(c2cc(Cl)ccn2)CC1.
What is the InChIKey of [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is OIOPPGVYQHQGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)14(19)20-18-8-5-11(6-9-18)13-10-12(16)4-7-17-13/h4,7,10-11H,5-6,8-9H2,1-3H3.
What are the key properties of [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 296.80 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174622965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).