N-(2-phenoxyethyl)-2-piperidin-1-ylaniline

C19H24N2O — CID 78820561

IUPACN-(2-phenoxyethyl)-2-piperidin-1-ylaniline
SMILESc1ccc(OCCNc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O/c1-3-9-17(10-4-1)22-16-13-20-18-11-5-6-12-19(18)21-14-7-2-8-15-21/h1,3-6,9-12,20H,2,7-8,13-16H2
InChIKeyLRTAEBXXFGSNCY-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.17
Rot. Bonds6

About N-(2-phenoxyethyl)-2-piperidin-1-ylaniline

N-(2-phenoxyethyl)-2-piperidin-1-ylaniline (PubChem CID 78820561) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-piperidin-1-ylaniline
PubChem CID78820561
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-(2-phenoxyethyl)-2-piperidin-1-ylaniline
SMILESc1ccc(OCCNc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C19H24N2O/c1-3-9-17(10-4-1)22-16-13-20-18-11-5-6-12-19(18)21-14-7-2-8-15-21/h1,3-6,9-12,20H,2,7-8,13-16H2
InChIKeyLRTAEBXXFGSNCY-UHFFFAOYSA-N
XLogP4.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(4-fluorophenoxy)ethylamino]phenyl]piperidin-4-ol
CID 60539263
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
CID 68835193
N-butyl-2-piperidin-1-ylaniline;toluene
CID 174677024
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
N-pent-4-enyl-2-piperidin-1-ylaniline
CID 21261771
N-(3-methylsulfanylpropyl)-2-piperidin-1-ylaniline
CID 28547630
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea
CID 86807516
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline
CID 116500925
N-(2-phenoxyethyl)-2-propan-2-ylaniline
CID 39357817
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-piperidin-1-ylaniline?
The IUPAC name of N-(2-phenoxyethyl)-2-piperidin-1-ylaniline (CID 78820561) is N-(2-phenoxyethyl)-2-piperidin-1-ylaniline.
What is the SMILES notation for N-(2-phenoxyethyl)-2-piperidin-1-ylaniline?
The canonical SMILES for N-(2-phenoxyethyl)-2-piperidin-1-ylaniline is c1ccc(OCCNc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-piperidin-1-ylaniline?
The InChIKey is LRTAEBXXFGSNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-9-17(10-4-1)22-16-13-20-18-11-5-6-12-19(18)21-14-7-2-8-15-21/h1,3-6,9-12,20H,2,7-8,13-16H2.
What are the key properties of N-(2-phenoxyethyl)-2-piperidin-1-ylaniline?
N-(2-phenoxyethyl)-2-piperidin-1-ylaniline has a molecular weight of 296.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-piperidin-1-ylaniline is sourced from PubChem (CID 78820561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).