4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol

C15H21N3OS — CID 136561002

IUPAC4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
SMILESNCCC1(O)CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H21N3OS/c16-8-5-15(19)6-9-18(10-7-15)11-14-17-12-3-1-2-4-13(12)20-14/h1-4,19H,5-11,16H2
InChIKeyNKPPUULFOUQYGT-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.97
Rot. Bonds4

About 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol

4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol (PubChem CID 136561002) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
PubChem CID136561002
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
SMILESNCCC1(O)CCN(Cc2nc3ccccc3s2)CC1
InChIInChI=1S/C15H21N3OS/c16-8-5-15(19)6-9-18(10-7-15)11-14-17-12-3-1-2-4-13(12)20-14/h1-4,19H,5-11,16H2
InChIKeyNKPPUULFOUQYGT-UHFFFAOYSA-N
XLogP1.97
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
9-(1,3-benzothiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162638803
[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl] acetate
CID 9239432
3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol
CID 79818587
[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]urea
CID 78777861
N-[(3S,4S)-9-(1,3-benzothiazol-2-ylmethyl)-4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-3-yl]acetamide
CID 169420088
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65111068
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768
2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769518
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol (CID 136561002) is 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol is NCCC1(O)CCN(Cc2nc3ccccc3s2)CC1.
What is the InChIKey of 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
The InChIKey is NKPPUULFOUQYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c16-8-5-15(19)6-9-18(10-7-15)11-14-17-12-3-1-2-4-13(12)20-14/h1-4,19H,5-11,16H2.
What are the key properties of 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol?
4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol has a molecular weight of 291.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 136561002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).