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

C16H34N2 — CID 62089682

IUPAC3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine
SMILESCC(N)C(N1CCC(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(17)14(16(5,6)7)18-10-8-13(9-11-18)15(2,3)4/h12-14H,8-11,17H2,1-7H3
InChIKeyUARCVDMMMIFRTH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.51
Rot. Bonds2

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

3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine (PubChem CID 62089682) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine
PubChem CID62089682
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine
SMILESCC(N)C(N1CCC(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12(17)14(16(5,6)7)18-10-8-13(9-11-18)15(2,3)4/h12-14H,8-11,17H2,1-7H3
InChIKeyUARCVDMMMIFRTH-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine (CID 62089682) is 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine is CC(N)C(N1CCC(C(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine?
The InChIKey is UARCVDMMMIFRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-12(17)14(16(5,6)7)18-10-8-13(9-11-18)15(2,3)4/h12-14H,8-11,17H2,1-7H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine?
3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 62089682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).