2-tert-butylpiperidine;hydrochloride

C9H20ClN — CID 115015039

IUPAC2-tert-butylpiperidine;hydrochloride
SMILESCC(C)(C)C1CCCCN1.Cl
InChIInChI=1S/C9H19N.ClH/c1-9(2,3)8-6-4-5-7-10-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyJSOVJQUFOWHYFK-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.60
Rot. Bonds

About 2-tert-butylpiperidine;hydrochloride

2-tert-butylpiperidine;hydrochloride (PubChem CID 115015039) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 2-tert-butylpiperidine;hydrochloride.

Molecular Properties

Compound Name2-tert-butylpiperidine;hydrochloride
PubChem CID115015039
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name2-tert-butylpiperidine;hydrochloride
SMILESCC(C)(C)C1CCCCN1.Cl
InChIInChI=1S/C9H19N.ClH/c1-9(2,3)8-6-4-5-7-10-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyJSOVJQUFOWHYFK-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

n-Butyl-2,2,6,6-tetramethyl-4-piperidinamine
CID 118285
5-Ethyl-2-methylpiperidine
CID 7727
2,4,6-Trimethylpiperidine
CID 89562
N-Isopropyl-6-methyl-2-heptylamine hydrochloride
CID 19916
2-Isopropylpiperidine
CID 4400212
2,2,6-Trimethylpiperidine
CID 14241662
2-(2-Methylpropyl)piperidine hydrochloride
CID 17389625
4-Methyl-4-(2-methylpropyl)piperidine hydrochloride
CID 119031504
2,2,4,6-Tetramethylpiperidine
CID 95439
2-(Tert-butyl)piperidine
CID 5243950
3-Ethyl-3-methylpiperidine
CID 17769937
3,3-Dimethylpiperidine hydrochloride
CID 18686627

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpiperidine;hydrochloride?
The IUPAC name of 2-tert-butylpiperidine;hydrochloride (CID 115015039) is 2-tert-butylpiperidine;hydrochloride.
What is the SMILES notation for 2-tert-butylpiperidine;hydrochloride?
The canonical SMILES for 2-tert-butylpiperidine;hydrochloride is CC(C)(C)C1CCCCN1.Cl.
What is the InChIKey of 2-tert-butylpiperidine;hydrochloride?
The InChIKey is JSOVJQUFOWHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-9(2,3)8-6-4-5-7-10-8;/h8,10H,4-7H2,1-3H3;1H.
What are the key properties of 2-tert-butylpiperidine;hydrochloride?
2-tert-butylpiperidine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpiperidine;hydrochloride is sourced from PubChem (CID 115015039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).