N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C14H22Br2N2S — CID 106624273

IUPACN-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cc(Br)c(Br)s1)CC1CCCNC1
InChIInChI=1S/C14H22Br2N2S/c1-10(2)18(8-11-4-3-5-17-7-11)9-12-6-13(15)14(16)19-12/h6,10-11,17H,3-5,7-9H2,1-2H3
InChIKeyLSQRSQXJRNMNOS-UHFFFAOYSA-N
MW410.22 g/mol
LogP4.48
Rot. Bonds5

About N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106624273) has the molecular formula C14H22Br2N2S and a molecular weight of 410.22 g/mol. Its IUPAC name is N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106624273
Molecular FormulaC14H22Br2N2S
Molecular Weight410.22 g/mol
Exact Mass407.99
IUPAC NameN-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cc(Br)c(Br)s1)CC1CCCNC1
InChIInChI=1S/C14H22Br2N2S/c1-10(2)18(8-11-4-3-5-17-7-11)9-12-6-13(15)14(16)19-12/h6,10-11,17H,3-5,7-9H2,1-2H3
InChIKeyLSQRSQXJRNMNOS-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624214
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624626
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038
N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623970
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602849
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
N-[(4,5-dibromothiophen-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602748

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106624273) is N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is CC(C)N(Cc1cc(Br)c(Br)s1)CC1CCCNC1.
What is the InChIKey of N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is LSQRSQXJRNMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Br2N2S/c1-10(2)18(8-11-4-3-5-17-7-11)9-12-6-13(15)14(16)19-12/h6,10-11,17H,3-5,7-9H2,1-2H3.
What are the key properties of N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 410.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106624273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).