N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine

C12H24N2O — CID 91091378

IUPACN,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine
SMILES[2H]C1CC(C([2H])([2H])N([2H])[2H])CCN1CC1CCCCO1
InChIInChI=1S/C12H24N2O/c13-9-11-4-6-14(7-5-11)10-12-3-1-2-8-15-12/h11-12H,1-10,13H2/i6D,9D2/hD2
InChIKeyDZLQPQZEKXVBKG-ZMHLROILSA-N
MW217.37 g/mol
LogP1.23
Rot. Bonds4

About N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine

N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine (PubChem CID 91091378) has the molecular formula C12H24N2O and a molecular weight of 217.37 g/mol. Its IUPAC name is N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine
PubChem CID91091378
Molecular FormulaC12H24N2O
Molecular Weight217.37 g/mol
Exact Mass217.22
IUPAC NameN,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine
SMILES[2H]C1CC(C([2H])([2H])N([2H])[2H])CCN1CC1CCCCO1
InChIInChI=1S/C12H24N2O/c13-9-11-4-6-14(7-5-11)10-12-3-1-2-8-15-12/h11-12H,1-10,13H2/i6D,9D2/hD2
InChIKeyDZLQPQZEKXVBKG-ZMHLROILSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine?
The IUPAC name of N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine (CID 91091378) is N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine?
The canonical SMILES for N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine is [2H]C1CC(C([2H])([2H])N([2H])[2H])CCN1CC1CCCCO1.
What is the InChIKey of N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine?
The InChIKey is DZLQPQZEKXVBKG-ZMHLROILSA-N. The full InChI is InChI=1S/C12H24N2O/c13-9-11-4-6-14(7-5-11)10-12-3-1-2-8-15-12/h11-12H,1-10,13H2/i6D,9D2/hD2.
What are the key properties of N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine?
N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine has a molecular weight of 217.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1-tetradeuterio-1-[2-deuterio-1-(oxan-2-ylmethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 91091378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).