(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine

C17H28N2O — CID 89003231

IUPAC(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
SMILESCCOCCN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-20-14-11-18-17(16-9-5-3-6-10-16)15-19-12-7-4-8-13-19/h3,5-6,9-10,17-18H,2,4,7-8,11-15H2,1H3/t17-/m0/s1
InChIKeyVVEAOHIOQOJCGL-KRWDZBQOSA-N
MW276.42 g/mol
LogP2.84
Rot. Bonds8

About (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine

(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine (PubChem CID 89003231) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
PubChem CID89003231
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
SMILESCCOCCN[C@@H](CN1CCCCC1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-2-20-14-11-18-17(16-9-5-3-6-10-16)15-19-12-7-4-8-13-19/h3,5-6,9-10,17-18H,2,4,7-8,11-15H2,1H3/t17-/m0/s1
InChIKeyVVEAOHIOQOJCGL-KRWDZBQOSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.84
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

N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
1-phenyl-N-(3-pyrrolidin-1-ylpropyl)propan-1-amine
CID 43203842
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
2-(4,4-dimethylazepan-1-yl)-N-ethyl-1-phenylethanamine
CID 65280974
N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
N-[(2-methylphenyl)methyl]-1-phenyl-2-pyrrolidin-1-ylethanamine
CID 78849604
N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 103464122

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine?
The IUPAC name of (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine (CID 89003231) is (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine.
What is the SMILES notation for (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine?
The canonical SMILES for (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine is CCOCCN[C@@H](CN1CCCCC1)c1ccccc1.
What is the InChIKey of (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine?
The InChIKey is VVEAOHIOQOJCGL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-20-14-11-18-17(16-9-5-3-6-10-16)15-19-12-7-4-8-13-19/h3,5-6,9-10,17-18H,2,4,7-8,11-15H2,1H3/t17-/m0/s1.
What are the key properties of (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine?
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine is sourced from PubChem (CID 89003231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).