4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine

C18H28N2O — CID 57387304

IUPAC4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine
SMILESCCCN1CCC(c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-9-19-10-7-17(8-11-19)16-3-5-18(6-4-16)20-12-14-21-15-13-20/h3-6,17H,2,7-15H2,1H3
InChIKeyLAHIGVMDLHPFHD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.11
Rot. Bonds4

About 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine

4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine (PubChem CID 57387304) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine
PubChem CID57387304
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine
SMILESCCCN1CCC(c2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-2-9-19-10-7-17(8-11-19)16-3-5-18(6-4-16)20-12-14-21-15-13-20/h3-6,17H,2,7-15H2,1H3
InChIKeyLAHIGVMDLHPFHD-UHFFFAOYSA-N
XLogP3.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.11
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

4-(Morpholinomethyl)aniline
CID 776851
4-Morpholinobenzonitrile
CID 394808
(4-Morpholin-4-ylbenzylidene)malononitrile
CID 321779
N1,N1-Dimethyl-N4-(4-morpholinobenzylidene)-1,4-benzenediamine
CID 628093
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
4-[4-(1-Piperidinylcarbonothioyl)phenyl]morpholine
CID 951939
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
3-[4-(4-Morpholinyl)phenyl]-2-phenylacrylonitrile
CID 892247
[4-(4-Methylphenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 57819796

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine (CID 57387304) is 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine is CCCN1CCC(c2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine?
The InChIKey is LAHIGVMDLHPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-9-19-10-7-17(8-11-19)16-3-5-18(6-4-16)20-12-14-21-15-13-20/h3-6,17H,2,7-15H2,1H3.
What are the key properties of 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine?
4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine has a molecular weight of 288.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-propylpiperidin-4-yl)phenyl]morpholine is sourced from PubChem (CID 57387304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).