(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol

C11H18N2OS — CID 167916543

IUPAC(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
SMILESNCc1ccc(CN2CCC[C@@H](O)C2)s1
InChIInChI=1S/C11H18N2OS/c12-6-10-3-4-11(15-10)8-13-5-1-2-9(14)7-13/h3-4,9,14H,1-2,5-8,12H2/t9-/m1/s1
InChIKeyZGBSMBKAECDIAT-SECBINFHSA-N
MW226.34 g/mol
LogP1.16
Rot. Bonds3

About (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol

(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol (PubChem CID 167916543) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
PubChem CID167916543
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
SMILESNCc1ccc(CN2CCC[C@@H](O)C2)s1
InChIInChI=1S/C11H18N2OS/c12-6-10-3-4-11(15-10)8-13-5-1-2-9(14)7-13/h3-4,9,14H,1-2,5-8,12H2/t9-/m1/s1
InChIKeyZGBSMBKAECDIAT-SECBINFHSA-N
XLogP1.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
CID 107556033
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
(3S)-1-[(5-propan-2-ylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 171586281
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 31015770
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516
1-[(3-amino-1,2-oxazol-5-yl)methyl]piperidin-3-ol
CID 82398962
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[(5-methylfuran-2-yl)methyl]piperidin-3-ol
CID 62022683

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol (CID 167916543) is (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol is NCc1ccc(CN2CCC[C@@H](O)C2)s1.
What is the InChIKey of (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol?
The InChIKey is ZGBSMBKAECDIAT-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N2OS/c12-6-10-3-4-11(15-10)8-13-5-1-2-9(14)7-13/h3-4,9,14H,1-2,5-8,12H2/t9-/m1/s1.
What are the key properties of (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol?
(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol has a molecular weight of 226.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 167916543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).