3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine

C16H31NO — CID 169242150

IUPAC3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine
SMILESCC(C)CC1CCCN(CCC2CCOCC2)C1
InChIInChI=1S/C16H31NO/c1-14(2)12-16-4-3-8-17(13-16)9-5-15-6-10-18-11-7-15/h14-16H,3-13H2,1-2H3
InChIKeyQNOCLCBADFXUDS-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.56
Rot. Bonds5

About 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine

3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine (PubChem CID 169242150) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine
PubChem CID169242150
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine
SMILESCC(C)CC1CCCN(CCC2CCOCC2)C1
InChIInChI=1S/C16H31NO/c1-14(2)12-16-4-3-8-17(13-16)9-5-15-6-10-18-11-7-15/h14-16H,3-13H2,1-2H3
InChIKeyQNOCLCBADFXUDS-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
CID 169241986
1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
4-ethynyl-1-[2-(oxan-4-yl)ethyl]-3-propan-2-ylpiperidine
CID 165020397
1-tert-butyl-3-(2-methylpropyl)piperidine
CID 170069578
1-[2-(oxolan-3-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114129866
3-(2-methylpropyl)piperidin-1-amine
CID 83529044
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120795292
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385
1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
3-bromo-1-(2-cyclopentylethyl)piperidine
CID 130479214
1-[1-[2-(oxolan-3-yl)ethyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843380

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine?
The IUPAC name of 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine (CID 169242150) is 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine.
What is the SMILES notation for 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine?
The canonical SMILES for 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine is CC(C)CC1CCCN(CCC2CCOCC2)C1.
What is the InChIKey of 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine?
The InChIKey is QNOCLCBADFXUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(2)12-16-4-3-8-17(13-16)9-5-15-6-10-18-11-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine?
3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine has a molecular weight of 253.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[2-(oxan-4-yl)ethyl]piperidine is sourced from PubChem (CID 169242150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).