4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine

C16H29NO2 — CID 176563399

IUPAC4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine
SMILESCC1CCC2(CC1)COC(CC1CCNCC1)OC2
InChIInChI=1S/C16H29NO2/c1-13-2-6-16(7-3-13)11-18-15(19-12-16)10-14-4-8-17-9-5-14/h13-15,17H,2-12H2,1H3
InChIKeyJQVPSNLMWFZKBW-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.95
Rot. Bonds2

About 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine

4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine (PubChem CID 176563399) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine
PubChem CID176563399
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine
SMILESCC1CCC2(CC1)COC(CC1CCNCC1)OC2
InChIInChI=1S/C16H29NO2/c1-13-2-6-16(7-3-13)11-18-15(19-12-16)10-14-4-8-17-9-5-14/h13-15,17H,2-12H2,1H3
InChIKeyJQVPSNLMWFZKBW-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-4-ylmethyl)piperidine
CID 14123199
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
3,9-dimethylspiro[5.5]undecane
CID 20825106
[4-methyl-1-(piperidin-4-ylmethylamino)cyclohexyl]methanol
CID 79708030
6-ethyl-5,7-dioxaspiro[2.5]octane
CID 163722757
9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
7-methyl-6-oxa-2-azaspiro[3.5]nonane
CID 154577129
ethene;4-methylpiperidine
CID 143316942
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
ethane;6-methylspiro[2.5]octane
CID 142110397
cyclopentane;4-methylpiperidine
CID 143138909
4-[(1-methylcyclopropyl)methyl]piperidine
CID 67123007

Frequently Asked Questions

What is the IUPAC name of 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine?
The IUPAC name of 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine (CID 176563399) is 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine is CC1CCC2(CC1)COC(CC1CCNCC1)OC2.
What is the InChIKey of 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine?
The InChIKey is JQVPSNLMWFZKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-2-6-16(7-3-13)11-18-15(19-12-16)10-14-4-8-17-9-5-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine?
4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine has a molecular weight of 267.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9-methyl-2,4-dioxaspiro[5.5]undecan-3-yl)methyl]piperidine is sourced from PubChem (CID 176563399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).