4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine

C16H34N2 — CID 66452767

IUPAC4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(C)C(C)(C)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13(17-7)16(5,6)12-18-10-8-14(9-11-18)15(2,3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyGZEPRINPDRVBQT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds4

About 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine

4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine (PubChem CID 66452767) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
PubChem CID66452767
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine
SMILESCNC(C)C(C)(C)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2/c1-13(17-7)16(5,6)12-18-10-8-14(9-11-18)15(2,3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyGZEPRINPDRVBQT-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,2-dimethyl-3-(methylamino)butyl]-N,N-dimethylpiperidin-4-amine
CID 66453838
N,3,3-trimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 66454712
1-(4-tert-butylpiperidin-1-yl)-N-methylpropan-2-amine
CID 62089869
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 66453843
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N,3,3-trimethylbutan-2-amine
CID 66455576
N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 66453022
3-(4-tert-butylpiperidin-1-yl)-2-(methylamino)propanenitrile
CID 62090564
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 79945527
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,3,3-trimethylbutan-2-amine
CID 104960616
3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64787038
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine (CID 66452767) is 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine is CNC(C)C(C)(C)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine?
The InChIKey is GZEPRINPDRVBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(17-7)16(5,6)12-18-10-8-14(9-11-18)15(2,3)4/h13-14,17H,8-12H2,1-7H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine?
4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 66452767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).