4-chloro-1,2,5-trimethylpiperidine

C8H16ClN — CID 71367708

IUPAC4-chloro-1,2,5-trimethylpiperidine
SMILESCC1CN(C)C(C)CC1Cl
InChIInChI=1S/C8H16ClN/c1-6-5-10(3)7(2)4-8(6)9/h6-8H,4-5H2,1-3H3
InChIKeyGZMOKERKQZDDEH-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.95
Rot. Bonds

About 4-chloro-1,2,5-trimethylpiperidine

4-chloro-1,2,5-trimethylpiperidine (PubChem CID 71367708) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 4-chloro-1,2,5-trimethylpiperidine.

Molecular Properties

Compound Name4-chloro-1,2,5-trimethylpiperidine
PubChem CID71367708
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name4-chloro-1,2,5-trimethylpiperidine
SMILESCC1CN(C)C(C)CC1Cl
InChIInChI=1S/C8H16ClN/c1-6-5-10(3)7(2)4-8(6)9/h6-8H,4-5H2,1-3H3
InChIKeyGZMOKERKQZDDEH-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(Chloromethyl)-1-methylpiperidine
CID 103674
2-(2-Chloroethyl)-1-methylpiperidine
CID 3016566
2-(2-Chloroethyl)-1-methylpiperidinium chloride
CID 12432704
3-Chloromethyl-1-methylpiperidinium chloride
CID 106690
4-(2-Chloroethyl)-1-methylpiperidine hydrochloride
CID 68117412
4-(Chloromethyl)-1-(propan-2-yl)piperidine hydrochloride
CID 165728597
1-(3-Chloropropyl)-2-methylpiperidine
CID 13806001
3-Chloro-1-(1-methylethyl)piperidine
CID 63386890
1-(2-Chloroethyl)-3-methylpiperidine
CID 112026
1-(3-Chloropropyl)-2,6-dimethylpiperidine
CID 12923590
cis-1-(3-Chloropropyl)-2,6-dimethylpiperidine
CID 12923591
2-(Chloromethyl)-4-(fluoromethyl)-1-methylpiperidine
CID 20075063

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2,5-trimethylpiperidine?
The IUPAC name of 4-chloro-1,2,5-trimethylpiperidine (CID 71367708) is 4-chloro-1,2,5-trimethylpiperidine.
What is the SMILES notation for 4-chloro-1,2,5-trimethylpiperidine?
The canonical SMILES for 4-chloro-1,2,5-trimethylpiperidine is CC1CN(C)C(C)CC1Cl.
What is the InChIKey of 4-chloro-1,2,5-trimethylpiperidine?
The InChIKey is GZMOKERKQZDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-6-5-10(3)7(2)4-8(6)9/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-1,2,5-trimethylpiperidine?
4-chloro-1,2,5-trimethylpiperidine has a molecular weight of 161.68 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2,5-trimethylpiperidine is sourced from PubChem (CID 71367708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).