1,3,3-trimethylpiperidine;hydrochloride

C8H18ClN — CID 18955363

IUPAC1,3,3-trimethylpiperidine;hydrochloride
SMILESCN1CCCC(C)(C)C1.Cl
InChIInChI=1S/C8H17N.ClH/c1-8(2)5-4-6-9(3)7-8;/h4-7H2,1-3H3;1H
InChIKeyWPEDTKQEOBAGAX-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.16
Rot. Bonds

About 1,3,3-trimethylpiperidine;hydrochloride

1,3,3-trimethylpiperidine;hydrochloride (PubChem CID 18955363) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 1,3,3-trimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1,3,3-trimethylpiperidine;hydrochloride
PubChem CID18955363
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name1,3,3-trimethylpiperidine;hydrochloride
SMILESCN1CCCC(C)(C)C1.Cl
InChIInChI=1S/C8H17N.ClH/c1-8(2)5-4-6-9(3)7-8;/h4-7H2,1-3H3;1H
InChIKeyWPEDTKQEOBAGAX-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-Ethyl-3-methylpiperidine
CID 102760
N-Isopentylpiperidine
CID 523252
cis-1,3,5-Trimethylpiperidine
CID 642618
1,3,3-Trimethylpiperidine
CID 12413605
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
1,4,4-Trimethylpiperidine
CID 136794
4-Tert-butyl-1-ethylpiperidine
CID 287952
1-Butyl-3-methylpiperidine
CID 6428881
Piperidine, 1-propyl-3-methyl
CID 6428890
Piperidine, 4-(1,1-dimethylethyl)-1-methyl-
CID 435047

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylpiperidine;hydrochloride?
The IUPAC name of 1,3,3-trimethylpiperidine;hydrochloride (CID 18955363) is 1,3,3-trimethylpiperidine;hydrochloride.
What is the SMILES notation for 1,3,3-trimethylpiperidine;hydrochloride?
The canonical SMILES for 1,3,3-trimethylpiperidine;hydrochloride is CN1CCCC(C)(C)C1.Cl.
What is the InChIKey of 1,3,3-trimethylpiperidine;hydrochloride?
The InChIKey is WPEDTKQEOBAGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-8(2)5-4-6-9(3)7-8;/h4-7H2,1-3H3;1H.
What are the key properties of 1,3,3-trimethylpiperidine;hydrochloride?
1,3,3-trimethylpiperidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpiperidine;hydrochloride is sourced from PubChem (CID 18955363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).