(3S)-1,3-dimethylpiperidine

C7H15N — CID 637971

IUPAC(3S)-1,3-dimethylpiperidine
SMILESC[C@H]1CCCN(C)C1
InChIInChI=1S/C7H15N/c1-7-4-3-5-8(2)6-7/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyONQLCPDIXPYJSS-ZETCQYMHSA-N
MW113.20 g/mol
LogP1.35
Rot. Bonds

About (3S)-1,3-dimethylpiperidine

(3S)-1,3-dimethylpiperidine (PubChem CID 637971) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (3S)-1,3-dimethylpiperidine.

Molecular Properties

Compound Name(3S)-1,3-dimethylpiperidine
PubChem CID637971
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(3S)-1,3-dimethylpiperidine
SMILESC[C@H]1CCCN(C)C1
InChIInChI=1S/C7H15N/c1-7-4-3-5-8(2)6-7/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyONQLCPDIXPYJSS-ZETCQYMHSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,3-dimethylpiperidine
CID 23277968
1,4-dimethylpiperazine;1,3-dimethylpiperidine;methane
CID 159125347
(3R)-1,3-dimethylpyrrolidine
CID 58412242
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
cis-(1S,3R)-N,3-dimethylcyclopentan-1-amine;bis(cis-(1R,3S)-N,3-dimethylcyclopentan-1-amine);N,3-dimethylcyclobutan-1-amine;(3S)-N,3-dimethylcyclopentan-1-amine;(3R)-1,3-dimethylpiperidine
CID 158398099
1,3-dimethylazetidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 160580121
1,3,4-trimethylazepane
CID 59081993
3-ethyl-1,5-dimethylazocane
CID 178124783
methylcyclohexane;bis(1-methylpiperidine);1-methylpyrrolidine
CID 158500859
1,3-dimethylpyrrolidine;propan-2-ol
CID 166075610
1-methyl-3-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidine
CID 91419718

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethylpiperidine?
The IUPAC name of (3S)-1,3-dimethylpiperidine (CID 637971) is (3S)-1,3-dimethylpiperidine.
What is the SMILES notation for (3S)-1,3-dimethylpiperidine?
The canonical SMILES for (3S)-1,3-dimethylpiperidine is C[C@H]1CCCN(C)C1.
What is the InChIKey of (3S)-1,3-dimethylpiperidine?
The InChIKey is ONQLCPDIXPYJSS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15N/c1-7-4-3-5-8(2)6-7/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-1,3-dimethylpiperidine?
(3S)-1,3-dimethylpiperidine has a molecular weight of 113.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethylpiperidine is sourced from PubChem (CID 637971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).