4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine

C15H30ClN — CID 106837967

IUPAC4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCC(C(C)Cl)CC1
InChIInChI=1S/C15H30ClN/c1-4-6-7-14(5-2)12-17-10-8-15(9-11-17)13(3)16/h13-15H,4-12H2,1-3H3
InChIKeyVFASMXYHVSCZEQ-UHFFFAOYSA-N
MW259.86 g/mol
LogP4.54
Rot. Bonds7

About 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine

4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine (PubChem CID 106837967) has the molecular formula C15H30ClN and a molecular weight of 259.86 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
PubChem CID106837967
Molecular FormulaC15H30ClN
Molecular Weight259.86 g/mol
Exact Mass259.21
IUPAC Name4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
SMILESCCCCC(CC)CN1CCC(C(C)Cl)CC1
InChIInChI=1S/C15H30ClN/c1-4-6-7-14(5-2)12-17-10-8-15(9-11-17)13(3)16/h13-15H,4-12H2,1-3H3
InChIKeyVFASMXYHVSCZEQ-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.86
LogP ≤ 54.54
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

4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
CID 82701804
1-[1-(2-ethylhexyl)piperidin-3-yl]ethanamine
CID 55258928
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592756
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149
1-(2-ethylhexyl)pyrrolidine-3,4-diol
CID 106672045
4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
CID 106837993
N,3-diethyl-1-(2-ethylhexyl)piperidin-4-amine
CID 114507460
3-ethyl-1-(2-ethylhexyl)-N-propylpiperidin-4-amine
CID 114507677

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine (CID 106837967) is 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine is CCCCC(CC)CN1CCC(C(C)Cl)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine?
The InChIKey is VFASMXYHVSCZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN/c1-4-6-7-14(5-2)12-17-10-8-15(9-11-17)13(3)16/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine?
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine has a molecular weight of 259.86 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine is sourced from PubChem (CID 106837967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).