N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine

C13H19BrN2S — CID 43234226

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESBrc1ccc(CNC2CCN(C3CC3)CC2)s1
InChIInChI=1S/C13H19BrN2S/c14-13-4-3-12(17-13)9-15-10-5-7-16(8-6-10)11-1-2-11/h3-4,10-11,15H,1-2,5-9H2
InChIKeyAGMJRFSRGLZVHN-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.23
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine

N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine (PubChem CID 43234226) has the molecular formula C13H19BrN2S and a molecular weight of 315.28 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
PubChem CID43234226
Molecular FormulaC13H19BrN2S
Molecular Weight315.28 g/mol
Exact Mass314.05
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine
SMILESBrc1ccc(CNC2CCN(C3CC3)CC2)s1
InChIInChI=1S/C13H19BrN2S/c14-13-4-3-12(17-13)9-15-10-5-7-16(8-6-10)11-1-2-11/h3-4,10-11,15H,1-2,5-9H2
InChIKeyAGMJRFSRGLZVHN-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
4-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 62314221
[4-[(5-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 103753139
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[(5-bromothiophen-2-yl)methyl]oxetan-3-amine
CID 63624209
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685133
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine (CID 43234226) is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine is Brc1ccc(CNC2CCN(C3CC3)CC2)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine?
The InChIKey is AGMJRFSRGLZVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2S/c14-13-4-3-12(17-13)9-15-10-5-7-16(8-6-10)11-1-2-11/h3-4,10-11,15H,1-2,5-9H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine has a molecular weight of 315.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpiperidin-4-amine is sourced from PubChem (CID 43234226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).