(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine

C17H26N2O — CID 170687921

IUPAC(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine
SMILESCC(C)N1CCO[C@H](c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-14(2)19-11-12-20-17(13-19)15-5-7-16(8-6-15)18-9-3-4-10-18/h5-8,14,17H,3-4,9-13H2,1-2H3/t17-/m0/s1
InChIKeyWDIWHEOWRHAGGB-KRWDZBQOSA-N
MW274.41 g/mol
LogP3.07
Rot. Bonds3

About (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine

(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine (PubChem CID 170687921) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine.

Molecular Properties

Compound Name(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine
PubChem CID170687921
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine
SMILESCC(C)N1CCO[C@H](c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C17H26N2O/c1-14(2)19-11-12-20-17(13-19)15-5-7-16(8-6-15)18-9-3-4-10-18/h5-8,14,17H,3-4,9-13H2,1-2H3/t17-/m0/s1
InChIKeyWDIWHEOWRHAGGB-KRWDZBQOSA-N
XLogP3.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-4-propan-2-ylmorpholine
CID 82184636
4-propan-2-yl-2-pyridin-4-ylmorpholine
CID 176665996
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholine
CID 67352997
(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
CID 170687976
4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine
CID 170366672
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42888495
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
(2S)-2-(4-fluorophenyl)-4-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 98723473
morpholin-4-yl-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]phenyl]methanone
CID 66594396
2-methyl-4-propan-2-ylmorpholine
CID 176666634

Frequently Asked Questions

What is the IUPAC name of (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine?
The IUPAC name of (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine (CID 170687921) is (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine.
What is the SMILES notation for (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine?
The canonical SMILES for (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine is CC(C)N1CCO[C@H](c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine?
The InChIKey is WDIWHEOWRHAGGB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)19-11-12-20-17(13-19)15-5-7-16(8-6-15)18-9-3-4-10-18/h5-8,14,17H,3-4,9-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine?
(2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine has a molecular weight of 274.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-propan-2-yl-2-(4-pyrrolidin-1-ylphenyl)morpholine is sourced from PubChem (CID 170687921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).