4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine

C13H25NO — CID 70882810

IUPAC4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
SMILESCC1CCN(C[C@H]2OCCC[C@H]2C)CC1
InChIInChI=1S/C13H25NO/c1-11-5-7-14(8-6-11)10-13-12(2)4-3-9-15-13/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyBWZPDZHFEANNHF-CHWSQXEVSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds2

About 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine

4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine (PubChem CID 70882810) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
PubChem CID70882810
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
SMILESCC1CCN(C[C@H]2OCCC[C@H]2C)CC1
InChIInChI=1S/C13H25NO/c1-11-5-7-14(8-6-11)10-13-12(2)4-3-9-15-13/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyBWZPDZHFEANNHF-CHWSQXEVSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
The IUPAC name of 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine (CID 70882810) is 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine.
What is the SMILES notation for 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
The canonical SMILES for 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine is CC1CCN(C[C@H]2OCCC[C@H]2C)CC1.
What is the InChIKey of 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
The InChIKey is BWZPDZHFEANNHF-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-5-7-14(8-6-11)10-13-12(2)4-3-9-15-13/h11-13H,3-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine is sourced from PubChem (CID 70882810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).