8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C21H25ClN2O2 — CID 21352355

IUPAC8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(-c2cc(CN3CCC4(CC3)OCCO4)ccn2)cc(C)c1Cl
InChIInChI=1S/C21H25ClN2O2/c1-15-11-18(12-16(2)20(15)22)19-13-17(3-6-23-19)14-24-7-4-21(5-8-24)25-9-10-26-21/h3,6,11-13H,4-5,7-10,14H2,1-2H3
InChIKeyVHFJTGQNSBDPIP-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.36
Rot. Bonds3

About 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 21352355) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID21352355
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cc(-c2cc(CN3CCC4(CC3)OCCO4)ccn2)cc(C)c1Cl
InChIInChI=1S/C21H25ClN2O2/c1-15-11-18(12-16(2)20(15)22)19-13-17(3-6-23-19)14-24-7-4-21(5-8-24)25-9-10-26-21/h3,6,11-13H,4-5,7-10,14H2,1-2H3
InChIKeyVHFJTGQNSBDPIP-UHFFFAOYSA-N
XLogP4.36
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Launch Full Analysis

Related Compounds

1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037195
7-[(2-chloro-4-pyridinyl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131110971
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
1-[[2-(3-methylphenyl)-4-pyridinyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037180
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112550214
1-[3-(3,4,5-trimethylphenyl)propyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037199
(Z)-but-2-enedioic acid;1-[(4-chlorophenyl)methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 90742566
1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1,4-diazepane
CID 59037165
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
8-[[5-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46044504
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
CID 22557933

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 21352355) is 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cc(-c2cc(CN3CCC4(CC3)OCCO4)ccn2)cc(C)c1Cl.
What is the InChIKey of 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is VHFJTGQNSBDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-11-18(12-16(2)20(15)22)19-13-17(3-6-23-19)14-24-7-4-21(5-8-24)25-9-10-26-21/h3,6,11-13H,4-5,7-10,14H2,1-2H3.
What are the key properties of 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 372.90 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(4-chloro-3,5-dimethylphenyl)-4-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 21352355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).