(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

C15H26N2OS — CID 95274120

IUPAC(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ccsc1CNCC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C15H26N2OS/c1-12-5-8-19-15(12)10-16-9-14-3-6-17(7-4-14)11-13(2)18/h5,8,13-14,16,18H,3-4,6-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyTUFALOTXOGVPBT-CYBMUJFWSA-N
MW282.45 g/mol
LogP2.24
Rot. Bonds6

About (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95274120) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95274120
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ccsc1CNCC1CCN(C[C@@H](C)O)CC1
InChIInChI=1S/C15H26N2OS/c1-12-5-8-19-15(12)10-16-9-14-3-6-17(7-4-14)11-13(2)18/h5,8,13-14,16,18H,3-4,6-7,9-11H2,1-2H3/t13-/m1/s1
InChIKeyTUFALOTXOGVPBT-CYBMUJFWSA-N
XLogP2.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

2-[[(1-ethylpiperidin-4-yl)methylamino]methyl]thiophen-3-amine
CID 66387988
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95299755
(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
2-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]methyl]-6-methylpyridin-3-ol
CID 95273059
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 62553735
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]thiophen-3-amine
CID 66384964
(2S)-1-[4-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274203
(2S)-1-[4-[[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274206
N-[(1-ethylpiperidin-4-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992298
(2S)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335410

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95274120) is (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is Cc1ccsc1CNCC1CCN(C[C@@H](C)O)CC1.
What is the InChIKey of (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is TUFALOTXOGVPBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-12-5-8-19-15(12)10-16-9-14-3-6-17(7-4-14)11-13(2)18/h5,8,13-14,16,18H,3-4,6-7,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 282.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[(3-methylthiophen-2-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95274120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).