5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile

C19H23N3OS — CID 111778172

IUPAC5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCc2ccccc2CN2CCC(O)CC2)c1
InChIInChI=1S/C19H23N3OS/c20-10-15-9-19(24-14-15)12-21-11-16-3-1-2-4-17(16)13-22-7-5-18(23)6-8-22/h1-4,9,14,18,21,23H,5-8,11-13H2
InChIKeyFOYUPVDUHHBKGT-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.87
Rot. Bonds6

About 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile

5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile (PubChem CID 111778172) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile
PubChem CID111778172
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile
SMILESN#Cc1csc(CNCc2ccccc2CN2CCC(O)CC2)c1
InChIInChI=1S/C19H23N3OS/c20-10-15-9-19(24-14-15)12-21-11-16-3-1-2-4-17(16)13-22-7-5-18(23)6-8-22/h1-4,9,14,18,21,23H,5-8,11-13H2
InChIKeyFOYUPVDUHHBKGT-UHFFFAOYSA-N
XLogP2.87
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
1-[[2-[(cyclopropylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 111778142
1-[[2-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidin-4-ol
CID 71977852
5-[(oxolan-3-ylmethylamino)methyl]thiophene-3-carbonitrile
CID 79545727
5-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]thiophene-3-carbonitrile
CID 111696128
5-[[4-(pyrrolidin-1-ylmethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79610908
5-[[(4-fluorophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79545257
5-[[(4-bromophenyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79553080
5-[[(2-hydroxycycloheptyl)amino]methyl]thiophene-3-carbonitrile
CID 113394650
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
5-[(2-cyclohexylethylamino)methyl]thiophene-3-carbonitrile
CID 79544754
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile (CID 111778172) is 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile is N#Cc1csc(CNCc2ccccc2CN2CCC(O)CC2)c1.
What is the InChIKey of 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile?
The InChIKey is FOYUPVDUHHBKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c20-10-15-9-19(24-14-15)12-21-11-16-3-1-2-4-17(16)13-22-7-5-18(23)6-8-22/h1-4,9,14,18,21,23H,5-8,11-13H2.
What are the key properties of 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile?
5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile has a molecular weight of 341.48 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 111778172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).