3-benzyl-1,4-dimethylpiperidine

C14H21N — CID 68972702

IUPAC3-benzyl-1,4-dimethylpiperidine
SMILESCC1CCN(C)CC1Cc1ccccc1
InChIInChI=1S/C14H21N/c1-12-8-9-15(2)11-14(12)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyFMTKTQNFKRMPRE-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.82
Rot. Bonds2

About 3-benzyl-1,4-dimethylpiperidine

3-benzyl-1,4-dimethylpiperidine (PubChem CID 68972702) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-benzyl-1,4-dimethylpiperidine.

Molecular Properties

Compound Name3-benzyl-1,4-dimethylpiperidine
PubChem CID68972702
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-benzyl-1,4-dimethylpiperidine
SMILESCC1CCN(C)CC1Cc1ccccc1
InChIInChI=1S/C14H21N/c1-12-8-9-15(2)11-14(12)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyFMTKTQNFKRMPRE-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-benzyl-1-methylpiperidin-4-yl)acetic acid
CID 21426503
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-methylazepane
CID 123177845
1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
CID 82393171
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278
3-[(2S,3S)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130834
3-[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130836
3-[(2S,3R)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130835
3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 118991788
(2R)-2-benzyl-1-methylaziridine
CID 87174257
(3R,4R)-3-benzyl-1-propylpiperidin-4-amine
CID 124748447

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,4-dimethylpiperidine?
The IUPAC name of 3-benzyl-1,4-dimethylpiperidine (CID 68972702) is 3-benzyl-1,4-dimethylpiperidine.
What is the SMILES notation for 3-benzyl-1,4-dimethylpiperidine?
The canonical SMILES for 3-benzyl-1,4-dimethylpiperidine is CC1CCN(C)CC1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1,4-dimethylpiperidine?
The InChIKey is FMTKTQNFKRMPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12-8-9-15(2)11-14(12)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 3-benzyl-1,4-dimethylpiperidine?
3-benzyl-1,4-dimethylpiperidine has a molecular weight of 203.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,4-dimethylpiperidine is sourced from PubChem (CID 68972702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).