2,2,6,6-tetradeuterio-1-phenylpiperidine

C11H15N — CID 172759317

IUPAC2,2,6,6-tetradeuterio-1-phenylpiperidine
SMILES[2H]C1([2H])CCCC([2H])([2H])N1c1ccccc1
InChIInChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2/i9D2,10D2
InChIKeyLLSKXGRDUPMXLC-YQUBHJMPSA-N
MW165.27 g/mol
LogP2.68
Rot. Bonds1

About 2,2,6,6-tetradeuterio-1-phenylpiperidine

2,2,6,6-tetradeuterio-1-phenylpiperidine (PubChem CID 172759317) has the molecular formula C11H15N and a molecular weight of 165.27 g/mol. Its IUPAC name is 2,2,6,6-tetradeuterio-1-phenylpiperidine.

Molecular Properties

Compound Name2,2,6,6-tetradeuterio-1-phenylpiperidine
PubChem CID172759317
Molecular FormulaC11H15N
Molecular Weight165.27 g/mol
Exact Mass165.15
IUPAC Name2,2,6,6-tetradeuterio-1-phenylpiperidine
SMILES[2H]C1([2H])CCCC([2H])([2H])N1c1ccccc1
InChIInChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2/i9D2,10D2
InChIKeyLLSKXGRDUPMXLC-YQUBHJMPSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;methanol;1-phenylpiperidine
CID 177175072
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CID 23450926
4-phenyl-1,2,4-dithiazolidine
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carbamic acid;1-phenylpiperidine
CID 161473217
1-phenylpiperidine;phosphenous acid
CID 174871848
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547
1-cycloheptyl-4-phenylpiperazine
CID 2846720
methylcyclohexane;1-phenylpiperidine
CID 174582589
ethoxyethane;1-phenylpiperidine
CID 174883082
13-phenyl-1,5,9-trithia-13-azacyclohexadecane
CID 44623274
3,5-difluoro-1-phenylpiperazine
CID 176905401

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetradeuterio-1-phenylpiperidine?
The IUPAC name of 2,2,6,6-tetradeuterio-1-phenylpiperidine (CID 172759317) is 2,2,6,6-tetradeuterio-1-phenylpiperidine.
What is the SMILES notation for 2,2,6,6-tetradeuterio-1-phenylpiperidine?
The canonical SMILES for 2,2,6,6-tetradeuterio-1-phenylpiperidine is [2H]C1([2H])CCCC([2H])([2H])N1c1ccccc1.
What is the InChIKey of 2,2,6,6-tetradeuterio-1-phenylpiperidine?
The InChIKey is LLSKXGRDUPMXLC-YQUBHJMPSA-N. The full InChI is InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2/i9D2,10D2.
What are the key properties of 2,2,6,6-tetradeuterio-1-phenylpiperidine?
2,2,6,6-tetradeuterio-1-phenylpiperidine has a molecular weight of 165.27 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetradeuterio-1-phenylpiperidine is sourced from PubChem (CID 172759317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).