2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride

C19H26ClNOS — CID 3039253

IUPAC2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride
SMILESCC(CN1CCCCC1)C(O)(c1ccccc1)c1cccs1.Cl
InChIInChI=1S/C19H25NOS.ClH/c1-16(15-20-12-6-3-7-13-20)19(21,18-11-8-14-22-18)17-9-4-2-5-10-17;/h2,4-5,8-11,14,16,21H,3,6-7,12-13,15H2,1H3;1H
InChIKeyLFVCEZUOQZPESZ-UHFFFAOYSA-N
MW351.94 g/mol
LogP4.53
Rot. Bonds5

About 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride

2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride (PubChem CID 3039253) has the molecular formula C19H26ClNOS and a molecular weight of 351.94 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride
PubChem CID3039253
Molecular FormulaC19H26ClNOS
Molecular Weight351.94 g/mol
Exact Mass351.14
IUPAC Name2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride
SMILESCC(CN1CCCCC1)C(O)(c1ccccc1)c1cccs1.Cl
InChIInChI=1S/C19H25NOS.ClH/c1-16(15-20-12-6-3-7-13-20)19(21,18-11-8-14-22-18)17-9-4-2-5-10-17;/h2,4-5,8-11,14,16,21H,3,6-7,12-13,15H2,1H3;1H
InChIKeyLFVCEZUOQZPESZ-UHFFFAOYSA-N
XLogP4.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.94
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride?
The IUPAC name of 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride (CID 3039253) is 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride is CC(CN1CCCCC1)C(O)(c1ccccc1)c1cccs1.Cl.
What is the InChIKey of 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride?
The InChIKey is LFVCEZUOQZPESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS.ClH/c1-16(15-20-12-6-3-7-13-20)19(21,18-11-8-14-22-18)17-9-4-2-5-10-17;/h2,4-5,8-11,14,16,21H,3,6-7,12-13,15H2,1H3;1H.
What are the key properties of 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride?
2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride has a molecular weight of 351.94 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-piperidin-1-yl-1-thiophen-2-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3039253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).