1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine

C17H34N2O — CID 88767301

IUPAC1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine
SMILESCCCC(CC1CO1)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H34N2O/c1-7-8-13(9-15-12-20-15)18-14-10-16(2,3)19(6)17(4,5)11-14/h13-15,18H,7-12H2,1-6H3
InChIKeyYDWVHDPBRVLPBB-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.18
Rot. Bonds6

About 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine

1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine (PubChem CID 88767301) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine
PubChem CID88767301
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine
SMILESCCCC(CC1CO1)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C17H34N2O/c1-7-8-13(9-15-12-20-15)18-14-10-16(2,3)19(6)17(4,5)11-14/h13-15,18H,7-12H2,1-6H3
InChIKeyYDWVHDPBRVLPBB-UHFFFAOYSA-N
XLogP3.18
TPSA27.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine?
The IUPAC name of 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine (CID 88767301) is 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine is CCCC(CC1CO1)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine?
The InChIKey is YDWVHDPBRVLPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-8-13(9-15-12-20-15)18-14-10-16(2,3)19(6)17(4,5)11-14/h13-15,18H,7-12H2,1-6H3.
What are the key properties of 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine?
1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine has a molecular weight of 282.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-N-[1-(oxiran-2-yl)pentan-2-yl]piperidin-4-amine is sourced from PubChem (CID 88767301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).