4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine

C20H29N3OS — CID 133338553

IUPAC4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCC2CCN(c3nc4ccccc4s3)CC2)CC(C)O1
InChIInChI=1S/C20H29N3OS/c1-15-13-22(14-16(2)24-15)10-7-17-8-11-23(12-9-17)20-21-18-5-3-4-6-19(18)25-20/h3-6,15-17H,7-14H2,1-2H3
InChIKeyKFSYWCNNBJIKEK-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.01
Rot. Bonds4

About 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine

4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine (PubChem CID 133338553) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
PubChem CID133338553
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
SMILESCC1CN(CCC2CCN(c3nc4ccccc4s3)CC2)CC(C)O1
InChIInChI=1S/C20H29N3OS/c1-15-13-22(14-16(2)24-15)10-7-17-8-11-23(12-9-17)20-21-18-5-3-4-6-19(18)25-20/h3-6,15-17H,7-14H2,1-2H3
InChIKeyKFSYWCNNBJIKEK-UHFFFAOYSA-N
XLogP4.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
1-(1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62068037
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755
(3S,5R)-1-[[(3R)-1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039038
1-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]piperidin-2-one
CID 133326124
1-(1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141142598
tert-butyl N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]carbamate
CID 71632518
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5-ethylthiophene-2-sulfonamide
CID 121108373
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine (CID 133338553) is 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine is CC1CN(CCC2CCN(c3nc4ccccc4s3)CC2)CC(C)O1.
What is the InChIKey of 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
The InChIKey is KFSYWCNNBJIKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-15-13-22(14-16(2)24-15)10-7-17-8-11-23(12-9-17)20-21-18-5-3-4-6-19(18)25-20/h3-6,15-17H,7-14H2,1-2H3.
What are the key properties of 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine?
4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine has a molecular weight of 359.54 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 133338553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).