4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate

C10H23NO2 — CID 144530470

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
SMILESCC(C)(C)OCC1CCNCC1.O
InChIInChI=1S/C10H21NO.H2O/c1-10(2,3)12-8-9-4-6-11-7-5-9;/h9,11H,4-8H2,1-3H3;1H2
InChIKeyBIWBZEMQFHIWBK-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.98
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate

4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate (PubChem CID 144530470) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
PubChem CID144530470
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
SMILESCC(C)(C)OCC1CCNCC1.O
InChIInChI=1S/C10H21NO.H2O/c1-10(2,3)12-8-9-4-6-11-7-5-9;/h9,11H,4-8H2,1-3H3;1H2
InChIKeyBIWBZEMQFHIWBK-UHFFFAOYSA-N
XLogP0.98
TPSA52.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Methoxymethyl)piperidine
CID 4715283
4-(Methoxymethyl)piperidine hydrochloride
CID 17218599
4-(Ethoxymethyl)piperidine
CID 17233802
4-[(2-Methoxyethoxy)methyl]piperidine, AldrichCPR
CID 24707268
4-[(2-Methylpropoxy)methyl]piperidine
CID 24692196
4-(Ethoxymethyl)piperidine hydrochloride
CID 17233801
4-[(2-Methylpropoxy)methyl]piperidine hydrochloride
CID 43810754
4-(2-Methoxypropan-2-yl)piperidine hydrochloride
CID 129317935
4-[(Tert-butoxy)methyl]piperidine hydrochloride
CID 137944107
4-[(Tert-butoxy)methyl]piperidine
CID 54056421
4-(Ethoxymethyl)-4-fluoropiperidine
CID 55295888
4-Fluoro-4-(propan-2-yloxymethyl)piperidine
CID 59176312

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate (CID 144530470) is 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate is CC(C)(C)OCC1CCNCC1.O.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate?
The InChIKey is BIWBZEMQFHIWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.H2O/c1-10(2,3)12-8-9-4-6-11-7-5-9;/h9,11H,4-8H2,1-3H3;1H2.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate?
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate has a molecular weight of 189.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate is sourced from PubChem (CID 144530470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).