N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

C14H21BrN2S — CID 112739771

IUPACN-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESBrc1cscc1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H21BrN2S/c15-14-10-18-9-12(14)8-17(13-1-2-13)7-11-3-5-16-6-4-11/h9-11,13,16H,1-8H2
InChIKeyUUWZTKQQEJLAKK-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.47
Rot. Bonds5

About N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine

N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (PubChem CID 112739771) has the molecular formula C14H21BrN2S and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
PubChem CID112739771
Molecular FormulaC14H21BrN2S
Molecular Weight329.31 g/mol
Exact Mass328.06
IUPAC NameN-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
SMILESBrc1cscc1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C14H21BrN2S/c15-14-10-18-9-12(14)8-17(13-1-2-13)7-11-3-5-16-6-4-11/h9-11,13,16H,1-8H2
InChIKeyUUWZTKQQEJLAKK-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
CID 119930116
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125
N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
CID 112641605
N-[(2-nitrophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79700162
N-(1-benzofuran-3-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 80702786
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714268
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 119930115
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714350

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine (CID 112739771) is N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is Brc1cscc1CN(CC1CCNCC1)C1CC1.
What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
The InChIKey is UUWZTKQQEJLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2S/c15-14-10-18-9-12(14)8-17(13-1-2-13)7-11-3-5-16-6-4-11/h9-11,13,16H,1-8H2.
What are the key properties of N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine?
N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine has a molecular weight of 329.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 112739771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).