1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate

C15H25NO — CID 174976143

IUPAC1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate
SMILESCC1CCC(c2ccccc2)N(C)C1(C)C.O
InChIInChI=1S/C15H23N.H2O/c1-12-10-11-14(16(4)15(12,2)3)13-8-6-5-7-9-13;/h5-9,12,14H,10-11H2,1-4H3;1H2
InChIKeyASKRREUCDCJXDX-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.04
Rot. Bonds1

About 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate

1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate (PubChem CID 174976143) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate
PubChem CID174976143
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate
SMILESCC1CCC(c2ccccc2)N(C)C1(C)C.O
InChIInChI=1S/C15H23N.H2O/c1-12-10-11-14(16(4)15(12,2)3)13-8-6-5-7-9-13;/h5-9,12,14H,10-11H2,1-4H3;1H2
InChIKeyASKRREUCDCJXDX-UHFFFAOYSA-N
XLogP3.04
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate?
The IUPAC name of 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate (CID 174976143) is 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate.
What is the SMILES notation for 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate?
The canonical SMILES for 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate is CC1CCC(c2ccccc2)N(C)C1(C)C.O.
What is the InChIKey of 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate?
The InChIKey is ASKRREUCDCJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.H2O/c1-12-10-11-14(16(4)15(12,2)3)13-8-6-5-7-9-13;/h5-9,12,14H,10-11H2,1-4H3;1H2.
What are the key properties of 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate?
1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate has a molecular weight of 235.37 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-6-phenylpiperidine;hydrate is sourced from PubChem (CID 174976143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).