N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine

C24H32N2O — CID 55684281

IUPACN-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
SMILESc1ccc(C2(CNCc3ccc(N4CCCCC4)cc3)CCOCC2)cc1
InChIInChI=1S/C24H32N2O/c1-3-7-22(8-4-1)24(13-17-27-18-14-24)20-25-19-21-9-11-23(12-10-21)26-15-5-2-6-16-26/h1,3-4,7-12,25H,2,5-6,13-20H2
InChIKeyJTZYEPZEECJVFV-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.51
Rot. Bonds6

About N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine

N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine (PubChem CID 55684281) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
PubChem CID55684281
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine
SMILESc1ccc(C2(CNCc3ccc(N4CCCCC4)cc3)CCOCC2)cc1
InChIInChI=1S/C24H32N2O/c1-3-7-22(8-4-1)24(13-17-27-18-14-24)20-25-19-21-9-11-23(12-10-21)26-15-5-2-6-16-26/h1,3-4,7-12,25H,2,5-6,13-20H2
InChIKeyJTZYEPZEECJVFV-UHFFFAOYSA-N
XLogP4.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]cyclobutan-1-amine
CID 75418740
N-[4-[[(4-phenyloxan-4-yl)methylamino]methyl]phenyl]acetamide
CID 38066830
[1-[[(4-piperidin-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478336
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279
1-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866735
N-[(3-methyloxetan-3-yl)methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine
CID 78957539
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
2-methyl-1-[(4-phenyloxan-4-yl)methyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111394316
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
1-methyl-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutan-1-amine
CID 115765831
N-[(1-benzhydryl-4-phenylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 10388887

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine (CID 55684281) is N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine is c1ccc(C2(CNCc3ccc(N4CCCCC4)cc3)CCOCC2)cc1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine?
The InChIKey is JTZYEPZEECJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-7-22(8-4-1)24(13-17-27-18-14-24)20-25-19-21-9-11-23(12-10-21)26-15-5-2-6-16-26/h1,3-4,7-12,25H,2,5-6,13-20H2.
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine?
N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine has a molecular weight of 364.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-1-(4-piperidin-1-ylphenyl)methanamine is sourced from PubChem (CID 55684281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).