N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine

C13H21ClN2S — CID 62581145

IUPACN-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C13H21ClN2S/c1-2-15-8-11-4-3-7-16(9-11)10-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyFDWIGCGZADWSDG-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.22
Rot. Bonds5

About N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine

N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 62581145) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID62581145
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC NameN-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C13H21ClN2S/c1-2-15-8-11-4-3-7-16(9-11)10-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyFDWIGCGZADWSDG-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793865
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54794583
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63844771
N-[[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 102616382
ethyl (3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylate
CID 81339175
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine
CID 120835729
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine (CID 62581145) is N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2ccc(Cl)s2)C1.
What is the InChIKey of N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is FDWIGCGZADWSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-2-15-8-11-4-3-7-16(9-11)10-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 272.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62581145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).