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

C10H22ClNO — CID 118163283

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride
SMILESCC(C)(C)OCC1CCCNC1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2,3)12-8-9-5-4-6-11-7-9;/h9,11H,4-8H2,1-3H3;1H
InChIKeyVUGKPEVLPZXAMO-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.22
Rot. Bonds2

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

3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride (PubChem CID 118163283) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride
PubChem CID118163283
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride
SMILESCC(C)(C)OCC1CCCNC1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-10(2,3)12-8-9-5-4-6-11-7-9;/h9,11H,4-8H2,1-3H3;1H
InChIKeyVUGKPEVLPZXAMO-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride (CID 118163283) is 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride is CC(C)(C)OCC1CCCNC1.Cl.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
The InChIKey is VUGKPEVLPZXAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-10(2,3)12-8-9-5-4-6-11-7-9;/h9,11H,4-8H2,1-3H3;1H.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride?
3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride has a molecular weight of 207.74 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride is sourced from PubChem (CID 118163283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).