2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine

C21H42N2O3 — CID 156869090

IUPAC2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine
SMILESCC(C)OCCCN1CCOC(CC(C)OCCCN2CCCCC2)C1
InChIInChI=1S/C21H42N2O3/c1-19(2)24-14-8-12-23-13-16-26-21(18-23)17-20(3)25-15-7-11-22-9-5-4-6-10-22/h19-21H,4-18H2,1-3H3
InChIKeyLGZUQHDXHFSVHF-UHFFFAOYSA-N
MW370.58 g/mol
LogP3.17
Rot. Bonds12

About 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine

2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine (PubChem CID 156869090) has the molecular formula C21H42N2O3 and a molecular weight of 370.58 g/mol. Its IUPAC name is 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine.

Molecular Properties

Compound Name2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine
PubChem CID156869090
Molecular FormulaC21H42N2O3
Molecular Weight370.58 g/mol
Exact Mass370.32
IUPAC Name2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine
SMILESCC(C)OCCCN1CCOC(CC(C)OCCCN2CCCCC2)C1
InChIInChI=1S/C21H42N2O3/c1-19(2)24-14-8-12-23-13-16-26-21(18-23)17-20(3)25-15-7-11-22-9-5-4-6-10-22/h19-21H,4-18H2,1-3H3
InChIKeyLGZUQHDXHFSVHF-UHFFFAOYSA-N
XLogP3.17
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
CID 39221513
(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine
CID 155023154
1-[4-(3-pyrrolidin-1-ylpropyl)morpholin-2-yl]ethanamine
CID 113285074
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
CID 167630181
2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
CID 154661277
2-(bromomethyl)-4-(4-methylpentyl)morpholine
CID 83168587
[4-(4-methylpentyl)morpholin-2-yl]methanamine
CID 83157184
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine?
The IUPAC name of 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine (CID 156869090) is 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine.
What is the SMILES notation for 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine?
The canonical SMILES for 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine is CC(C)OCCCN1CCOC(CC(C)OCCCN2CCCCC2)C1.
What is the InChIKey of 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine?
The InChIKey is LGZUQHDXHFSVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O3/c1-19(2)24-14-8-12-23-13-16-26-21(18-23)17-20(3)25-15-7-11-22-9-5-4-6-10-22/h19-21H,4-18H2,1-3H3.
What are the key properties of 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine?
2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine has a molecular weight of 370.58 g/mol, XLogP of 3.17, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine is sourced from PubChem (CID 156869090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).