1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine

C14H27NO — CID 70882777

IUPAC1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(C[C@H]2OCC[C@H](C)[C@H]2C)CC1
InChIInChI=1S/C14H27NO/c1-11-4-7-15(8-5-11)10-14-13(3)12(2)6-9-16-14/h11-14H,4-10H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyPICWCSQWOJEITC-BFHYXJOUSA-N
MW225.38 g/mol
LogP2.78
Rot. Bonds2

About 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine

1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine (PubChem CID 70882777) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine
PubChem CID70882777
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(C[C@H]2OCC[C@H](C)[C@H]2C)CC1
InChIInChI=1S/C14H27NO/c1-11-4-7-15(8-5-11)10-14-13(3)12(2)6-9-16-14/h11-14H,4-10H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyPICWCSQWOJEITC-BFHYXJOUSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine 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 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine (CID 70882777) is 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine is CC1CCN(C[C@H]2OCC[C@H](C)[C@H]2C)CC1.
What is the InChIKey of 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine?
The InChIKey is PICWCSQWOJEITC-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-4-7-15(8-5-11)10-14-13(3)12(2)6-9-16-14/h11-14H,4-10H2,1-3H3/t12-,13+,14+/m0/s1.
What are the key properties of 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine?
1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine has a molecular weight of 225.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 70882777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).