3-tert-butylpiperidine;hydrochloride

C9H20ClN — CID 91644448

IUPAC3-tert-butylpiperidine;hydrochloride
SMILESCC(C)(C)C1CCCNC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-9(2,3)8-5-4-6-10-7-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyVKVBXJBGTKRYIW-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.45
Rot. Bonds

About 3-tert-butylpiperidine;hydrochloride

3-tert-butylpiperidine;hydrochloride (PubChem CID 91644448) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 3-tert-butylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-tert-butylpiperidine;hydrochloride
PubChem CID91644448
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name3-tert-butylpiperidine;hydrochloride
SMILESCC(C)(C)C1CCCNC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-9(2,3)8-5-4-6-10-7-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyVKVBXJBGTKRYIW-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpiperidine;hydrochloride?
The IUPAC name of 3-tert-butylpiperidine;hydrochloride (CID 91644448) is 3-tert-butylpiperidine;hydrochloride.
What is the SMILES notation for 3-tert-butylpiperidine;hydrochloride?
The canonical SMILES for 3-tert-butylpiperidine;hydrochloride is CC(C)(C)C1CCCNC1.Cl.
What is the InChIKey of 3-tert-butylpiperidine;hydrochloride?
The InChIKey is VKVBXJBGTKRYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-9(2,3)8-5-4-6-10-7-8;/h8,10H,4-7H2,1-3H3;1H.
What are the key properties of 3-tert-butylpiperidine;hydrochloride?
3-tert-butylpiperidine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpiperidine;hydrochloride is sourced from PubChem (CID 91644448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).