1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol

C16H20ClN3OS — CID 45196503

IUPAC1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ncccc2CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C16H20ClN3OS/c17-15-6-5-14(22-15)10-18-9-12-3-1-7-19-16(12)20-8-2-4-13(21)11-20/h1,3,5-7,13,18,21H,2,4,8-11H2
InChIKeyAYTHQCABVBVJJM-UHFFFAOYSA-N
MW337.88 g/mol
LogP3.05
Rot. Bonds5

About 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol

1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol (PubChem CID 45196503) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
PubChem CID45196503
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
SMILESOC1CCCN(c2ncccc2CNCc2ccc(Cl)s2)C1
InChIInChI=1S/C16H20ClN3OS/c17-15-6-5-14(22-15)10-18-9-12-3-1-7-19-16(12)20-8-2-4-13(21)11-20/h1,3,5-7,13,18,21H,2,4,8-11H2
InChIKeyAYTHQCABVBVJJM-UHFFFAOYSA-N
XLogP3.05
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(furan-2-ylmethylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 45229309
(3R)-1-[3-[[(5-methylfuran-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 25282607
1-[3-[[[5-(methoxymethyl)furan-2-yl]methylamino]methyl]-2-pyridinyl]piperidin-3-ol
CID 45204429
(3R)-1-[2-[[2-(azocan-1-yl)-3-pyridinyl]methylamino]pyrimidin-4-yl]piperidin-3-ol
CID 95210227
N-[[2-[(3R)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 42147241
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-methylfuran-3-carboxamide
CID 45252804
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]acetamide
CID 45232066
1-[3-[[(6-propan-2-ylpyridazin-3-yl)amino]methyl]-2-pyridinyl]piperidin-3-ol
CID 56738805
1-[3-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 56746340
1-[4-(aminomethyl)-3-chloro-2-pyridinyl]piperidin-3-ol
CID 107055177
N-[[2-(3-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 45184288
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 95191432

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
The IUPAC name of 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol (CID 45196503) is 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol is OC1CCCN(c2ncccc2CNCc2ccc(Cl)s2)C1.
What is the InChIKey of 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
The InChIKey is AYTHQCABVBVJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c17-15-6-5-14(22-15)10-18-9-12-3-1-7-19-16(12)20-8-2-4-13(21)11-20/h1,3,5-7,13,18,21H,2,4,8-11H2.
What are the key properties of 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol?
1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol has a molecular weight of 337.88 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-2-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 45196503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).