N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine

C14H24N2S — CID 63122818

IUPACN-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccs1)CC1(C)CCNCC1
InChIInChI=1S/C14H24N2S/c1-3-16(11-13-5-4-10-17-13)12-14(2)6-8-15-9-7-14/h4-5,10,15H,3,6-9,11-12H2,1-2H3
InChIKeyKWLOHRWFFMXSCQ-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.96
Rot. Bonds5

About N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine

N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 63122818) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID63122818
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
SMILESCCN(Cc1cccs1)CC1(C)CCNCC1
InChIInChI=1S/C14H24N2S/c1-3-16(11-13-5-4-10-17-13)12-14(2)6-8-15-9-7-14/h4-5,10,15H,3,6-9,11-12H2,1-2H3
InChIKeyKWLOHRWFFMXSCQ-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 79488257
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
2-[1-[[ethyl(thiophen-2-ylmethyl)amino]methyl]cyclopropyl]acetic acid
CID 65497379
N-ethyl-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866036
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
1-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64679712
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 69497458
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745377
N-ethyl-N-[(4-methylpiperidin-4-yl)methyl]butan-1-amine
CID 63122896
4-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]piperidin-4-ol
CID 79476515
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine (CID 63122818) is N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine is CCN(Cc1cccs1)CC1(C)CCNCC1.
What is the InChIKey of N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is KWLOHRWFFMXSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-16(11-13-5-4-10-17-13)12-14(2)6-8-15-9-7-14/h4-5,10,15H,3,6-9,11-12H2,1-2H3.
What are the key properties of N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine?
N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 63122818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).