4-propan-2-ylpiperidine;hydrochloride

C8H18ClN — CID 54595522

IUPAC4-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)C1CCNCC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7(2)8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyZARGEHZFPQMICY-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.06
Rot. Bonds1

About 4-propan-2-ylpiperidine;hydrochloride

4-propan-2-ylpiperidine;hydrochloride (PubChem CID 54595522) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 4-propan-2-ylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-propan-2-ylpiperidine;hydrochloride
PubChem CID54595522
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name4-propan-2-ylpiperidine;hydrochloride
SMILESCC(C)C1CCNCC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7(2)8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyZARGEHZFPQMICY-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperidine;hydrochloride?
The IUPAC name of 4-propan-2-ylpiperidine;hydrochloride (CID 54595522) is 4-propan-2-ylpiperidine;hydrochloride.
What is the SMILES notation for 4-propan-2-ylpiperidine;hydrochloride?
The canonical SMILES for 4-propan-2-ylpiperidine;hydrochloride is CC(C)C1CCNCC1.Cl.
What is the InChIKey of 4-propan-2-ylpiperidine;hydrochloride?
The InChIKey is ZARGEHZFPQMICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-7(2)8-3-5-9-6-4-8;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of 4-propan-2-ylpiperidine;hydrochloride?
4-propan-2-ylpiperidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperidine;hydrochloride is sourced from PubChem (CID 54595522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).