[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C17H22N2OS — CID 53193327

IUPAC[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccsc1CN1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C17H22N2OS/c1-13-7-11-21-16(13)12-19-9-5-14(6-10-19)17(20)15-4-2-3-8-18-15/h2-4,7-8,11,14,17,20H,5-6,9-10,12H2,1H3
InChIKeyBOKFGWJBRAJUFX-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.40
Rot. Bonds4

About [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 53193327) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID53193327
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1ccsc1CN1CCC(C(O)c2ccccn2)CC1
InChIInChI=1S/C17H22N2OS/c1-13-7-11-21-16(13)12-19-9-5-14(6-10-19)17(20)15-4-2-3-8-18-15/h2-4,7-8,11,14,17,20H,5-6,9-10,12H2,1H3
InChIKeyBOKFGWJBRAJUFX-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 53193327) is [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is Cc1ccsc1CN1CCC(C(O)c2ccccn2)CC1.
What is the InChIKey of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is BOKFGWJBRAJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-7-11-21-16(13)12-19-9-5-14(6-10-19)17(20)15-4-2-3-8-18-15/h2-4,7-8,11,14,17,20H,5-6,9-10,12H2,1H3.
What are the key properties of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 302.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 53193327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).