2,5-dichloro-4-propan-2-ylpiperidine

C8H15Cl2N — CID 130205385

IUPAC2,5-dichloro-4-propan-2-ylpiperidine
SMILESCC(C)C1CC(Cl)NCC1Cl
InChIInChI=1S/C8H15Cl2N/c1-5(2)6-3-8(10)11-4-7(6)9/h5-8,11H,3-4H2,1-2H3
InChIKeyLWOUMWJEQVXPER-UHFFFAOYSA-N
MW196.12 g/mol
LogP2.42
Rot. Bonds1

About 2,5-dichloro-4-propan-2-ylpiperidine

2,5-dichloro-4-propan-2-ylpiperidine (PubChem CID 130205385) has the molecular formula C8H15Cl2N and a molecular weight of 196.12 g/mol. Its IUPAC name is 2,5-dichloro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,5-dichloro-4-propan-2-ylpiperidine
PubChem CID130205385
Molecular FormulaC8H15Cl2N
Molecular Weight196.12 g/mol
Exact Mass195.06
IUPAC Name2,5-dichloro-4-propan-2-ylpiperidine
SMILESCC(C)C1CC(Cl)NCC1Cl
InChIInChI=1S/C8H15Cl2N/c1-5(2)6-3-8(10)11-4-7(6)9/h5-8,11H,3-4H2,1-2H3
InChIKeyLWOUMWJEQVXPER-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618199
1-chloro-2-propan-2-ylcyclobutane
CID 174662999
cis-(1S,2S)-2-propan-2-ylcyclopropane-1-sulfonyl chloride
CID 98092799
4-chloro-2-propan-2-ylpyrrolidine
CID 57194376
trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
2-chloro-4-methylpiperidine
CID 22714654
(1R,4S)-5-propan-2-yl-2-azabicyclo[2.2.2]octane
CID 176801726
5-chloro-N-propylpyrrolidin-3-amine
CID 54080358
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-propan-2-ylpiperidine?
The IUPAC name of 2,5-dichloro-4-propan-2-ylpiperidine (CID 130205385) is 2,5-dichloro-4-propan-2-ylpiperidine.
What is the SMILES notation for 2,5-dichloro-4-propan-2-ylpiperidine?
The canonical SMILES for 2,5-dichloro-4-propan-2-ylpiperidine is CC(C)C1CC(Cl)NCC1Cl.
What is the InChIKey of 2,5-dichloro-4-propan-2-ylpiperidine?
The InChIKey is LWOUMWJEQVXPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2N/c1-5(2)6-3-8(10)11-4-7(6)9/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-4-propan-2-ylpiperidine?
2,5-dichloro-4-propan-2-ylpiperidine has a molecular weight of 196.12 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-propan-2-ylpiperidine is sourced from PubChem (CID 130205385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).