3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

C14H20N2 — CID 169441068

IUPAC3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILES[2H]C1([2H])CNCC([2H])([2H])C1N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1/i6D2,7D2
InChIKeyBASFYRLYJAZPPL-WPCNBRCMSA-N
MW220.35 g/mol
LogP1.88
Rot. Bonds3

About 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (PubChem CID 169441068) has the molecular formula C14H20N2 and a molecular weight of 220.35 g/mol. Its IUPAC name is 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
PubChem CID169441068
Molecular FormulaC14H20N2
Molecular Weight220.35 g/mol
Exact Mass220.19
IUPAC Name3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILES[2H]C1([2H])CNCC([2H])([2H])C1N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1/i6D2,7D2
InChIKeyBASFYRLYJAZPPL-WPCNBRCMSA-N
XLogP1.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The IUPAC name of 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (CID 169441068) is 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The canonical SMILES for 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is [2H]C1([2H])CNCC([2H])([2H])C1N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The InChIKey is BASFYRLYJAZPPL-WPCNBRCMSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/m0/s1/i6D2,7D2.
What are the key properties of 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine has a molecular weight of 220.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 169441068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).