N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine

C23H32N2O — CID 57428658

IUPACN-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)CN(Cc1ccccc1Oc1ccccc1)C1CCNCC1
InChIInChI=1S/C23H32N2O/c1-23(2,3)18-25(20-13-15-24-16-14-20)17-19-9-7-8-12-22(19)26-21-10-5-4-6-11-21/h4-12,20,24H,13-18H2,1-3H3
InChIKeyXZNMKSHEVOFHSA-UHFFFAOYSA-N
MW352.52 g/mol
LogP5.08
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine

N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine (PubChem CID 57428658) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine
PubChem CID57428658
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)(C)CN(Cc1ccccc1Oc1ccccc1)C1CCNCC1
InChIInChI=1S/C23H32N2O/c1-23(2,3)18-25(20-13-15-24-16-14-20)17-19-9-7-8-12-22(19)26-21-10-5-4-6-11-21/h4-12,20,24H,13-18H2,1-3H3
InChIKeyXZNMKSHEVOFHSA-UHFFFAOYSA-N
XLogP5.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine (CID 57428658) is N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine is CC(C)(C)CN(Cc1ccccc1Oc1ccccc1)C1CCNCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is XZNMKSHEVOFHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-23(2,3)18-25(20-13-15-24-16-14-20)17-19-9-7-8-12-22(19)26-21-10-5-4-6-11-21/h4-12,20,24H,13-18H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine?
N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 352.52 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 57428658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).