1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride

C13H29ClN2 — CID 120858200

IUPAC1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC(C(C)(C)C)C1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-12(2,3)11-7-6-8-15(9-11)10-13(4,5)14;/h11H,6-10,14H2,1-5H3;1H
InChIKeyODVCHSDQJBTNPS-UHFFFAOYSA-N
MW248.84 g/mol
LogP2.90
Rot. Bonds2

About 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride

1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride (PubChem CID 120858200) has the molecular formula C13H29ClN2 and a molecular weight of 248.84 g/mol. Its IUPAC name is 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
PubChem CID120858200
Molecular FormulaC13H29ClN2
Molecular Weight248.84 g/mol
Exact Mass248.20
IUPAC Name1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)CN1CCCC(C(C)(C)C)C1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-12(2,3)11-7-6-8-15(9-11)10-13(4,5)14;/h11H,6-10,14H2,1-5H3;1H
InChIKeyODVCHSDQJBTNPS-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpropan-2-amine
CID 63151224
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-2-amine
CID 79942935
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylpropan-2-amine
CID 61267047
2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
CID 120858030
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073
ethyl 2-(3-tert-butylpiperidin-1-yl)acetate
CID 176945818
3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
CID 152833336
2-amino-3-(4-tert-butylazepan-1-yl)-2-methylpropan-1-ol
CID 64826444
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride (CID 120858200) is 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride is CC(C)(N)CN1CCCC(C(C)(C)C)C1.Cl.
What is the InChIKey of 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride?
The InChIKey is ODVCHSDQJBTNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.ClH/c1-12(2,3)11-7-6-8-15(9-11)10-13(4,5)14;/h11H,6-10,14H2,1-5H3;1H.
What are the key properties of 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride?
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride has a molecular weight of 248.84 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120858200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).