3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine

C15H22N2OS — CID 63973525

IUPAC3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine
SMILESCOCC1CCN(Cc2ccc(C#CCN)s2)CC1
InChIInChI=1S/C15H22N2OS/c1-18-12-13-6-9-17(10-7-13)11-15-5-4-14(19-15)3-2-8-16/h4-5,13H,6-12,16H2,1H3
InChIKeyFAMNENDAOLOEOE-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.92
Rot. Bonds4

About 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine

3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine (PubChem CID 63973525) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine
PubChem CID63973525
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine
SMILESCOCC1CCN(Cc2ccc(C#CCN)s2)CC1
InChIInChI=1S/C15H22N2OS/c1-18-12-13-6-9-17(10-7-13)11-15-5-4-14(19-15)3-2-8-16/h4-5,13H,6-12,16H2,1H3
InChIKeyFAMNENDAOLOEOE-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 62777446
3-[5-[(4,4-dimethylazepan-1-yl)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 65283041
3-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophen-2-yl]prop-2-yn-1-amine
CID 79935633
3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 82691520
3-[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 104691406
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 79683796
1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine
CID 143305201
3-[5-[[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 46996370
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
2-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-6-methoxypyridazin-3-one
CID 105062000
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
3-[5-[(1,1-dioxothiazinan-2-yl)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 116816689

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine?
The IUPAC name of 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine (CID 63973525) is 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine?
The canonical SMILES for 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine is COCC1CCN(Cc2ccc(C#CCN)s2)CC1.
What is the InChIKey of 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine?
The InChIKey is FAMNENDAOLOEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-18-12-13-6-9-17(10-7-13)11-15-5-4-14(19-15)3-2-8-16/h4-5,13H,6-12,16H2,1H3.
What are the key properties of 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine?
3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine has a molecular weight of 278.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(methoxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine is sourced from PubChem (CID 63973525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).