1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine

C15H28N2O — CID 62064249

IUPAC1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)17-9-7-13(8-10-17)16-12-14-6-4-5-11-18-14/h5,11,13-14,16H,4,6-10,12H2,1-3H3
InChIKeyWTYQQRUKIDZMAC-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.53
Rot. Bonds3

About 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine

1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine (PubChem CID 62064249) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
PubChem CID62064249
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)17-9-7-13(8-10-17)16-12-14-6-4-5-11-18-14/h5,11,13-14,16H,4,6-10,12H2,1-3H3
InChIKeyWTYQQRUKIDZMAC-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine (CID 62064249) is 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine is CC(C)(C)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
The InChIKey is WTYQQRUKIDZMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)17-9-7-13(8-10-17)16-12-14-6-4-5-11-18-14/h5,11,13-14,16H,4,6-10,12H2,1-3H3.
What are the key properties of 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine?
1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine has a molecular weight of 252.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 62064249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).