(2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine

C10H21NO — CID 10559102

IUPAC(2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCC(C)(C)OC[C@@H]1CCCCN1
InChIInChI=1S/C10H21NO/c1-10(2,3)12-8-9-6-4-5-7-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyASJCXTCMGFTDOY-VIFPVBQESA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds2

About (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine

(2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine (PubChem CID 10559102) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
PubChem CID10559102
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCC(C)(C)OC[C@@H]1CCCCN1
InChIInChI=1S/C10H21NO/c1-10(2,3)12-8-9-6-4-5-7-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyASJCXTCMGFTDOY-VIFPVBQESA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine (CID 10559102) is (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine.
What is the SMILES notation for (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The canonical SMILES for (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine is CC(C)(C)OC[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The InChIKey is ASJCXTCMGFTDOY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)12-8-9-6-4-5-7-11-9/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine?
(2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpropan-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 10559102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).