N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine

C14H25N3S — CID 63233410

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)c2ccsc2)CC1
InChIInChI=1S/C14H25N3S/c1-16-6-3-12(4-7-16)10-17(2)14(9-15)13-5-8-18-11-13/h5,8,11-12,14H,3-4,6-7,9-10,15H2,1-2H3
InChIKeyHDXVZOQPKURFCF-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.02
Rot. Bonds5

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 63233410) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
PubChem CID63233410
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)c2ccsc2)CC1
InChIInChI=1S/C14H25N3S/c1-16-6-3-12(4-7-16)10-17(2)14(9-15)13-5-8-18-11-13/h5,8,11-12,14H,3-4,6-7,9-10,15H2,1-2H3
InChIKeyHDXVZOQPKURFCF-UHFFFAOYSA-N
XLogP2.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine (CID 63233410) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine is CN1CCC(CN(C)C(CN)c2ccsc2)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is HDXVZOQPKURFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-16-6-3-12(4-7-16)10-17(2)14(9-15)13-5-8-18-11-13/h5,8,11-12,14H,3-4,6-7,9-10,15H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 267.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 63233410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).