4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine

C18H29N3O — CID 129398102

IUPAC4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine
SMILESC[C@H](CN1CCOCC1)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-17(16-19-12-14-22-15-13-19)20-8-5-9-21(11-10-20)18-6-3-2-4-7-18/h2-4,6-7,17H,5,8-16H2,1H3/t17-/m1/s1
InChIKeyVUOZSJMRDDTHCP-QGZVFWFLSA-N
MW303.45 g/mol
LogP1.92
Rot. Bonds4

About 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine

4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine (PubChem CID 129398102) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine
PubChem CID129398102
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine
SMILESC[C@H](CN1CCOCC1)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C18H29N3O/c1-17(16-19-12-14-22-15-13-19)20-8-5-9-21(11-10-20)18-6-3-2-4-7-18/h2-4,6-7,17H,5,8-16H2,1H3/t17-/m1/s1
InChIKeyVUOZSJMRDDTHCP-QGZVFWFLSA-N
XLogP1.92
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-morpholin-4-ylpropan-2-yl)piperazin-1-yl]benzamide
CID 84596127
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
1-(2-morpholin-4-ylethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]thiourea
CID 43076858
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
4-[2-[4-(1-phenylpropan-2-yl)piperazin-1-yl]ethyl]morpholine
CID 123753899
4-[4-[(2R)-2-pyrrolidin-1-ylpropyl]piperazin-1-yl]benzonitrile
CID 124758469
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
1-(3-morpholin-4-ylpropyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111061757
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660
4-[1-[1-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]ethyl]morpholine
CID 118789031
(2R)-1-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]-3-morpholin-4-ylpropan-2-ol
CID 124779951

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine?
The IUPAC name of 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine (CID 129398102) is 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine?
The canonical SMILES for 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine is C[C@H](CN1CCOCC1)N1CCCN(c2ccccc2)CC1.
What is the InChIKey of 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine?
The InChIKey is VUOZSJMRDDTHCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O/c1-17(16-19-12-14-22-15-13-19)20-8-5-9-21(11-10-20)18-6-3-2-4-7-18/h2-4,6-7,17H,5,8-16H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine?
4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine has a molecular weight of 303.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4-phenyl-1,4-diazepan-1-yl)propyl]morpholine is sourced from PubChem (CID 129398102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).