N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine

C14H22BrClN2S — CID 102834010

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine
SMILESCCCCN1CCC(NCc2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C14H22BrClN2S/c1-2-3-6-18-7-4-11(5-8-18)17-10-12-9-13(15)14(16)19-12/h9,11,17H,2-8,10H2,1H3
InChIKeySSKNNOUGBUGPMN-UHFFFAOYSA-N
MW365.77 g/mol
LogP4.52
Rot. Bonds6

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine (PubChem CID 102834010) has the molecular formula C14H22BrClN2S and a molecular weight of 365.77 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine
PubChem CID102834010
Molecular FormulaC14H22BrClN2S
Molecular Weight365.77 g/mol
Exact Mass364.04
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine
SMILESCCCCN1CCC(NCc2cc(Br)c(Cl)s2)CC1
InChIInChI=1S/C14H22BrClN2S/c1-2-3-6-18-7-4-11(5-8-18)17-10-12-9-13(15)14(16)19-12/h9,11,17H,2-8,10H2,1H3
InChIKeySSKNNOUGBUGPMN-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-methylazetidin-3-amine
CID 130679569
2-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 102833952
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
1-[4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 102833978
tert-butyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103527151
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
CID 81002478
tert-butyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]azepane-1-carboxylate
CID 107255053
1-butyl-N-ethylpiperidin-4-amine
CID 43314967
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 102830924
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102835162
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 102835259
N-[(4,5-dibromothiophen-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 102831737

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine (CID 102834010) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine is CCCCN1CCC(NCc2cc(Br)c(Cl)s2)CC1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine?
The InChIKey is SSKNNOUGBUGPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrClN2S/c1-2-3-6-18-7-4-11(5-8-18)17-10-12-9-13(15)14(16)19-12/h9,11,17H,2-8,10H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine has a molecular weight of 365.77 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine is sourced from PubChem (CID 102834010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).