(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol

C19H26N2OS — CID 95290947

IUPAC(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC(CNCc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H26N2OS/c22-19(17-5-2-1-3-6-17)15-21-10-8-16(9-11-21)13-20-14-18-7-4-12-23-18/h1-7,12,16,19-20,22H,8-11,13-15H2/t19-/m0/s1
InChIKeyYIAQGWZOAJXRHG-IBGZPJMESA-N
MW330.50 g/mol
LogP3.28
Rot. Bonds7

About (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol

(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol (PubChem CID 95290947) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
PubChem CID95290947
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC(CNCc2cccs2)CC1)c1ccccc1
InChIInChI=1S/C19H26N2OS/c22-19(17-5-2-1-3-6-17)15-21-10-8-16(9-11-21)13-20-14-18-7-4-12-23-18/h1-7,12,16,19-20,22H,8-11,13-15H2/t19-/m0/s1
InChIKeyYIAQGWZOAJXRHG-IBGZPJMESA-N
XLogP3.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95299755
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
4-[(thiophen-2-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532069
(1R)-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 124743423
1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 86903270
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95607291

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol (CID 95290947) is (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol is O[C@@H](CN1CCC(CNCc2cccs2)CC1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol?
The InChIKey is YIAQGWZOAJXRHG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2OS/c22-19(17-5-2-1-3-6-17)15-21-10-8-16(9-11-21)13-20-14-18-7-4-12-23-18/h1-7,12,16,19-20,22H,8-11,13-15H2/t19-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol?
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol has a molecular weight of 330.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95290947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).