4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine

C10H20ClN — CID 57299477

IUPAC4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClN/c1-8(2)12-6-5-9(11)10(3,4)7-12/h8-9H,5-7H2,1-4H3
InChIKeyDUTPNDCDZIIRPU-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.73
Rot. Bonds1

About 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine

4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine (PubChem CID 57299477) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine
PubChem CID57299477
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Cl)C(C)(C)C1
InChIInChI=1S/C10H20ClN/c1-8(2)12-6-5-9(11)10(3,4)7-12/h8-9H,5-7H2,1-4H3
InChIKeyDUTPNDCDZIIRPU-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine (CID 57299477) is 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine is CC(C)N1CCC(Cl)C(C)(C)C1.
What is the InChIKey of 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine?
The InChIKey is DUTPNDCDZIIRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN/c1-8(2)12-6-5-9(11)10(3,4)7-12/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine?
4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine has a molecular weight of 189.73 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,3-dimethyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 57299477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).