N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

C21H33FN2O — CID 16673136

IUPACN-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC1(C)CC(N(Cc2ccc(F)cc2)CC2CCOC2)CC(C)(C)N1
InChIInChI=1S/C21H33FN2O/c1-20(2)11-19(12-21(3,4)23-20)24(14-17-9-10-25-15-17)13-16-5-7-18(22)8-6-16/h5-8,17,19,23H,9-15H2,1-4H3
InChIKeyPLMKXYQUULNCFP-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.97
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine

N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (PubChem CID 16673136) has the molecular formula C21H33FN2O and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
PubChem CID16673136
Molecular FormulaC21H33FN2O
Molecular Weight348.51 g/mol
Exact Mass348.26
IUPAC NameN-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
SMILESCC1(C)CC(N(Cc2ccc(F)cc2)CC2CCOC2)CC(C)(C)N1
InChIInChI=1S/C21H33FN2O/c1-20(2)11-19(12-21(3,4)23-20)24(14-17-9-10-25-15-17)13-16-5-7-18(22)8-6-16/h5-8,17,19,23H,9-15H2,1-4H3
InChIKeyPLMKXYQUULNCFP-UHFFFAOYSA-N
XLogP3.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine (CID 16673136) is N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is CC1(C)CC(N(Cc2ccc(F)cc2)CC2CCOC2)CC(C)(C)N1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
The InChIKey is PLMKXYQUULNCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O/c1-20(2)11-19(12-21(3,4)23-20)24(14-17-9-10-25-15-17)13-16-5-7-18(22)8-6-16/h5-8,17,19,23H,9-15H2,1-4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine?
N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine has a molecular weight of 348.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,2,6,6-tetramethyl-N-(oxolan-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 16673136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).