tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine

C15H23ClN2O2 — CID 174622968

IUPACtert-butyl formate;4-chloro-2-piperidin-4-ylpyridine
SMILESCC(C)(C)OC=O.Clc1ccnc(C2CCNCC2)c1
InChIInChI=1S/C10H13ClN2.C5H10O2/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8;1-5(2,3)7-4-6/h3,6-8,12H,1-2,4-5H2;4H,1-3H3
InChIKeyHIICLTNORPJYNG-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine

tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine (PubChem CID 174622968) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine.

Molecular Properties

Compound Nametert-butyl formate;4-chloro-2-piperidin-4-ylpyridine
PubChem CID174622968
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Nametert-butyl formate;4-chloro-2-piperidin-4-ylpyridine
SMILESCC(C)(C)OC=O.Clc1ccnc(C2CCNCC2)c1
InChIInChI=1S/C10H13ClN2.C5H10O2/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8;1-5(2,3)7-4-6/h3,6-8,12H,1-2,4-5H2;4H,1-3H3
InChIKeyHIICLTNORPJYNG-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;4-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 174800921
tert-butyl formate;(4-chlorophenyl)-piperidin-4-ylmethanone
CID 175329360
tert-butyl formate;4-(1H-pyrazol-4-yl)piperidine
CID 174736091
tert-butyl formate;(3-chloro-4-piperidin-4-ylphenyl)methanol
CID 174928815
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
tert-butyl formate;5-piperidin-4-yl-1,2-oxazol-3-one
CID 174506032
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985
4-bromo-2-piperidin-4-ylpyridine
CID 76848192
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;3-ethynyl-5-piperidin-4-yl-2H-indazole
CID 174695979
tert-butyl formate;1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanol
CID 174750957
(6-bromo-3-pyridinyl)-piperidin-4-ylmethanone;tert-butyl formate
CID 175122441

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine?
The IUPAC name of tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine (CID 174622968) is tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine.
What is the SMILES notation for tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine?
The canonical SMILES for tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine is CC(C)(C)OC=O.Clc1ccnc(C2CCNCC2)c1.
What is the InChIKey of tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine?
The InChIKey is HIICLTNORPJYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2.C5H10O2/c11-9-3-6-13-10(7-9)8-1-4-12-5-2-8;1-5(2,3)7-4-6/h3,6-8,12H,1-2,4-5H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine?
tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine has a molecular weight of 298.81 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-chloro-2-piperidin-4-ylpyridine is sourced from PubChem (CID 174622968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).