(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

C18H24N2OS — CID 164637858

IUPAC(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCCc1ccc(CN2CCC([C@H](O)c3cccs3)CC2)nc1
InChIInChI=1S/C18H24N2OS/c1-2-14-5-6-16(19-12-14)13-20-9-7-15(8-10-20)18(21)17-4-3-11-22-17/h3-6,11-12,15,18,21H,2,7-10,13H2,1H3/t18-/m0/s1
InChIKeyABGAIPXUHZFAMP-SFHVURJKSA-N
MW316.47 g/mol
LogP3.65
Rot. Bonds5

About (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol

(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (PubChem CID 164637858) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
PubChem CID164637858
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
SMILESCCc1ccc(CN2CCC([C@H](O)c3cccs3)CC2)nc1
InChIInChI=1S/C18H24N2OS/c1-2-14-5-6-16(19-12-14)13-20-9-7-15(8-10-20)18(21)17-4-3-11-22-17/h3-6,11-12,15,18,21H,2,7-10,13H2,1H3/t18-/m0/s1
InChIKeyABGAIPXUHZFAMP-SFHVURJKSA-N
XLogP3.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The IUPAC name of (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol (CID 164637858) is (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The canonical SMILES for (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is CCc1ccc(CN2CCC([C@H](O)c3cccs3)CC2)nc1.
What is the InChIKey of (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
The InChIKey is ABGAIPXUHZFAMP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-2-14-5-6-16(19-12-14)13-20-9-7-15(8-10-20)18(21)17-4-3-11-22-17/h3-6,11-12,15,18,21H,2,7-10,13H2,1H3/t18-/m0/s1.
What are the key properties of (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol?
(S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol has a molecular weight of 316.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 164637858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).