1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine

C21H43N3 — CID 131975394

IUPAC1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine
SMILESCN1CCC(C(C)(C)C)CC1CN(C)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C21H43N3/c1-20(2,3)17-11-13-22(7)19(14-17)15-23(8)18-10-9-12-24(16-18)21(4,5)6/h17-19H,9-16H2,1-8H3
InChIKeyWGHAXNHZHQOLKR-UHFFFAOYSA-N
MW337.60 g/mol
LogP3.94
Rot. Bonds3

About 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine

1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine (PubChem CID 131975394) has the molecular formula C21H43N3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine
PubChem CID131975394
Molecular FormulaC21H43N3
Molecular Weight337.60 g/mol
Exact Mass337.35
IUPAC Name1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine
SMILESCN1CCC(C(C)(C)C)CC1CN(C)C1CCCN(C(C)(C)C)C1
InChIInChI=1S/C21H43N3/c1-20(2,3)17-11-13-22(7)19(14-17)15-23(8)18-10-9-12-24(16-18)21(4,5)6/h17-19H,9-16H2,1-8H3
InChIKeyWGHAXNHZHQOLKR-UHFFFAOYSA-N
XLogP3.94
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine (CID 131975394) is 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine is CN1CCC(C(C)(C)C)CC1CN(C)C1CCCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is WGHAXNHZHQOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3/c1-20(2,3)17-11-13-22(7)19(14-17)15-23(8)18-10-9-12-24(16-18)21(4,5)6/h17-19H,9-16H2,1-8H3.
What are the key properties of 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine?
1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 337.60 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(4-tert-butyl-1-methylpiperidin-2-yl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 131975394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).