1-benzyl-2,5-dimethylpiperidine

C14H21N — CID 73200484

IUPAC1-benzyl-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C14H21N/c1-12-8-9-13(2)15(10-12)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyYKDYCTAJFIGXRO-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.31
Rot. Bonds2

About 1-benzyl-2,5-dimethylpiperidine

1-benzyl-2,5-dimethylpiperidine (PubChem CID 73200484) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethylpiperidine.

Molecular Properties

Compound Name1-benzyl-2,5-dimethylpiperidine
PubChem CID73200484
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-benzyl-2,5-dimethylpiperidine
SMILESCC1CCC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C14H21N/c1-12-8-9-13(2)15(10-12)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyYKDYCTAJFIGXRO-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
(1-benzyl-6-methylpiperidin-3-yl)methanol
CID 22106848
(2R,5R)-1-benzyl-2-(difluoromethyl)-5-methylpiperidine
CID 158286419
1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
CID 146513963
2-[4-[(2,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-ethylethanamine
CID 105347896
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
1-benzyl-7-methyl-3-propyl-1,4-diazepane
CID 64869815

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethylpiperidine?
The IUPAC name of 1-benzyl-2,5-dimethylpiperidine (CID 73200484) is 1-benzyl-2,5-dimethylpiperidine.
What is the SMILES notation for 1-benzyl-2,5-dimethylpiperidine?
The canonical SMILES for 1-benzyl-2,5-dimethylpiperidine is CC1CCC(C)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-2,5-dimethylpiperidine?
The InChIKey is YKDYCTAJFIGXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12-8-9-13(2)15(10-12)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 1-benzyl-2,5-dimethylpiperidine?
1-benzyl-2,5-dimethylpiperidine has a molecular weight of 203.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethylpiperidine is sourced from PubChem (CID 73200484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).