2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride

C10H22ClNO — CID 138987595

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride
SMILESCC(C)(C)OCC1CCCCN1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2,3)12-8-9-6-4-5-7-11-9;/h9,11H,4-8H2,1-3H3;1H
InChIKeyYDMCFBGQLDXYSI-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.37
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride

2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride (PubChem CID 138987595) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride
PubChem CID138987595
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride
SMILESCC(C)(C)OCC1CCCCN1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2,3)12-8-9-6-4-5-7-11-9;/h9,11H,4-8H2,1-3H3;1H
InChIKeyYDMCFBGQLDXYSI-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(Methoxymethyl)piperidine
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5-Ethyl-2,2-dimethylmorpholine
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(2R)-2-((tert-butoxy)methyl)piperidine hydrochloride
CID 132342055
3-(Tert-butoxy)piperidine hydrochloride
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(3R)-3-(tert-butoxy)piperidine hydrochloride
CID 138040139
(2R)-2-[(tert-Butoxy)methyl]piperidine
CID 10654754
5,5-Difluoro-2-(propan-2-yloxymethyl)piperidine
CID 176568305
5-(3-Fluorobutyl)-2-propan-2-ylmorpholine
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(Oxan-2-ylmethyl)(propan-2-yl)amine
CID 239652

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride (CID 138987595) is 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride is CC(C)(C)OCC1CCCCN1.Cl.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
The InChIKey is YDMCFBGQLDXYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-10(2,3)12-8-9-6-4-5-7-11-9;/h9,11H,4-8H2,1-3H3;1H.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride has a molecular weight of 207.74 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride is sourced from PubChem (CID 138987595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).