2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine

C27H39N3O2 — CID 25114669

IUPAC2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine
SMILESCC(CN1CCC(Oc2ccccc2CNCCN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C27H39N3O2/c1-23(24-7-3-2-4-8-24)22-30-14-11-26(12-15-30)32-27-10-6-5-9-25(27)21-28-13-16-29-17-19-31-20-18-29/h2-10,23,26,28H,11-22H2,1H3
InChIKeyMWCQYDQWWKCTLW-UHFFFAOYSA-N
MW437.63 g/mol
LogP3.76
Rot. Bonds10

About 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine

2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine (PubChem CID 25114669) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine
PubChem CID25114669
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine
SMILESCC(CN1CCC(Oc2ccccc2CNCCN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C27H39N3O2/c1-23(24-7-3-2-4-8-24)22-30-14-11-26(12-15-30)32-27-10-6-5-9-25(27)21-28-13-16-29-17-19-31-20-18-29/h2-10,23,26,28H,11-22H2,1H3
InChIKeyMWCQYDQWWKCTLW-UHFFFAOYSA-N
XLogP3.76
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]propan-1-amine
CID 25115116
N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 39433302
N-[[2-[1-(2,2-diphenylethyl)piperidin-4-yl]oxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 25116503
1-(2-phenylpropyl)-4-[2-(5-pyrrolidin-1-ylpentyl)phenoxy]piperidine
CID 25115343
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine (CID 25114669) is 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine is CC(CN1CCC(Oc2ccccc2CNCCN2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine?
The InChIKey is MWCQYDQWWKCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-23(24-7-3-2-4-8-24)22-30-14-11-26(12-15-30)32-27-10-6-5-9-25(27)21-28-13-16-29-17-19-31-20-18-29/h2-10,23,26,28H,11-22H2,1H3.
What are the key properties of 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine?
2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine has a molecular weight of 437.63 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[2-[1-(2-phenylpropyl)piperidin-4-yl]oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 25114669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).