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

C14H20N2O2 — CID 112550214

IUPAC8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cccnc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-12-3-2-6-15-13(12)11-16-7-4-14(5-8-16)17-9-10-18-14/h2-3,6H,4-5,7-11H2,1H3
InChIKeyPBRKUWBBZHGRKQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds2

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

8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112550214) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112550214
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1cccnc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-12-3-2-6-15-13(12)11-16-7-4-14(5-8-16)17-9-10-18-14/h2-3,6H,4-5,7-11H2,1H3
InChIKeyPBRKUWBBZHGRKQ-UHFFFAOYSA-N
XLogP1.73
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 95708715
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
1-[(4R)-4-hydroxy-3,3-dimethyl-9-[(3-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124941194
1'-[(3-methyl-2-pyridinyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70711248
N-[(4R)-9-[(3-methyl-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897720
3,3-dimethyl-8-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 155990513
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506837

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 112550214) is 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Cc1cccnc1CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is PBRKUWBBZHGRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-3-2-6-15-13(12)11-16-7-4-14(5-8-16)17-9-10-18-14/h2-3,6H,4-5,7-11H2,1H3.
What are the key properties of 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 248.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methyl-2-pyridinyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112550214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).