4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine

C9H17NO — CID 40505250

IUPAC4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
SMILESCC1CCN(C[C@@H]2CO2)CC1
InChIInChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyZXECTFQQKBDZQX-SECBINFHSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds2

About 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine

4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine (PubChem CID 40505250) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
PubChem CID40505250
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
SMILESCC1CCN(C[C@@H]2CO2)CC1
InChIInChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3/t9-/m1/s1
InChIKeyZXECTFQQKBDZQX-SECBINFHSA-N
XLogP1.12
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
CID 63972885
1-(cyclopropylmethyl)-4-methylpiperidine
CID 54039585
3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
CID 146534303
1-[[(2S)-oxiran-2-yl]methyl]-4-(trifluoromethyl)piperidine
CID 126975147
4-(oxiran-2-ylmethyl)thiomorpholine
CID 43210672
1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
CID 86661984
(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582
3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
CID 64569723
ethane;methane;4-methyl-1-[(4-methylcyclohexyl)methyl]piperidine
CID 167474854
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine (CID 40505250) is 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine is CC1CCN(C[C@@H]2CO2)CC1.
What is the InChIKey of 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
The InChIKey is ZXECTFQQKBDZQX-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine?
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine is sourced from PubChem (CID 40505250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).