8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C13H17ClN2O2 — CID 71683220

IUPAC8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1cnccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17ClN2O2/c14-12-9-15-4-1-11(12)10-16-5-2-13(3-6-16)17-7-8-18-13/h1,4,9H,2-3,5-8,10H2
InChIKeyJZKIEQOKCUKPFH-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.07
Rot. Bonds2

About 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 71683220) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID71683220
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESClc1cnccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C13H17ClN2O2/c14-12-9-15-4-1-11(12)10-16-5-2-13(3-6-16)17-7-8-18-13/h1,4,9H,2-3,5-8,10H2
InChIKeyJZKIEQOKCUKPFH-UHFFFAOYSA-N
XLogP2.07
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46044504
[4-chloro-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]boronic acid
CID 91759297
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
4-[(4-chloro-3-pyridinyl)methyl]morpholine
CID 66998174
(2-chlorophenyl)-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24725377
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
CID 71906954
8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112548802
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
4-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 106838415
1-(4-chlorophenyl)sulfonyl-4-[(3-chloro-4-pyridinyl)methyl]piperazine
CID 126766793
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
8-[5,6-bis(3-chloro-4-pyridinyl)pyrazin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69173570

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 71683220) is 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Clc1cnccc1CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is JZKIEQOKCUKPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-9-15-4-1-11(12)10-16-5-2-13(3-6-16)17-7-8-18-13/h1,4,9H,2-3,5-8,10H2.
What are the key properties of 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 268.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 71683220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).