(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine

C19H37N3O2 — CID 124625056

IUPAC(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine
SMILESC[C@H]1CN(CCN2CCC(CCCN3CCOCC3)CC2)CCO1
InChIInChI=1S/C19H37N3O2/c1-18-17-22(13-16-24-18)10-9-21-7-4-19(5-8-21)3-2-6-20-11-14-23-15-12-20/h18-19H,2-17H2,1H3/t18-/m0/s1
InChIKeyQUXQIVSKSOXEFV-SFHVURJKSA-N
MW339.52 g/mol
LogP1.53
Rot. Bonds7

About (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine

(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine (PubChem CID 124625056) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine
PubChem CID124625056
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine
SMILESC[C@H]1CN(CCN2CCC(CCCN3CCOCC3)CC2)CCO1
InChIInChI=1S/C19H37N3O2/c1-18-17-22(13-16-24-18)10-9-21-7-4-19(5-8-21)3-2-6-20-11-14-23-15-12-20/h18-19H,2-17H2,1H3/t18-/m0/s1
InChIKeyQUXQIVSKSOXEFV-SFHVURJKSA-N
XLogP1.53
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine with MolForge

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Related Compounds

4-[3-(4-methylcyclohexyl)propyl]morpholine
CID 13157729
2-methyl-4-(2-methylmorpholin-4-yl)butan-2-amine
CID 64678329
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
4-[5-[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
CID 139341902
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492
4-[2-[3-(2-bromoethyl)pyrrolidin-1-yl]ethyl]morpholine
CID 114800432
2,2-dimethyl-6-(2-methylmorpholin-4-yl)hexan-1-amine
CID 106707845
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063
acetic acid;4-butyl-2-methylmorpholine
CID 175198746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine (CID 124625056) is (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine is C[C@H]1CN(CCN2CCC(CCCN3CCOCC3)CC2)CCO1.
What is the InChIKey of (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine?
The InChIKey is QUXQIVSKSOXEFV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-18-17-22(13-16-24-18)10-9-21-7-4-19(5-8-21)3-2-6-20-11-14-23-15-12-20/h18-19H,2-17H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine?
(2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine has a molecular weight of 339.52 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[2-[4-(3-morpholin-4-ylpropyl)piperidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 124625056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).