(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride

C9H20ClNO — CID 138040139

IUPAC(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride
SMILESCC(C)(C)O[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)11-8-5-4-6-10-7-8;/h8,10H,4-7H2,1-3H3;1H/t8-;/m1./s1
InChIKeyZZCPQUPKEXMJCQ-DDWIOCJRSA-N
MW193.72 g/mol
LogP1.98
Rot. Bonds1

About (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride

(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride (PubChem CID 138040139) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride
PubChem CID138040139
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride
SMILESCC(C)(C)O[C@@H]1CCCNC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,3)11-8-5-4-6-10-7-8;/h8,10H,4-7H2,1-3H3;1H/t8-;/m1./s1
InChIKeyZZCPQUPKEXMJCQ-DDWIOCJRSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxypiperidine
CID 4341744
3-Ethoxypiperidine
CID 4341745
3-Propoxypiperidine
CID 4712034
2-Propylmorpholine
CID 20205646
Dimethyl(2-(piperidin-3-yloxy)ethyl)amine
CID 43196802
3-(2-Methoxyethoxy)piperidine
CID 43196822
3-(Propan-2-yloxy)piperidine
CID 53409756
3-Methoxypiperidine hydrochloride
CID 23142000
(3R)-3-ethoxypiperidine
CID 40607156
3-(Cyclopropylmethoxy)piperidine
CID 45075364
3-(Prop-2-yn-1-yloxy)piperidine hydrochloride
CID 46735647
6-Methyl-5-oxa-8-azaspiro[3.5]nonane
CID 65122405

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
The IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride (CID 138040139) is (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride.
What is the SMILES notation for (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
The canonical SMILES for (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride is CC(C)(C)O[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
The InChIKey is ZZCPQUPKEXMJCQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2,3)11-8-5-4-6-10-7-8;/h8,10H,4-7H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride is sourced from PubChem (CID 138040139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).