(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine

C10H15BrN2S — CID 102977246

IUPAC(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2sccc2Br)C1
InChIInChI=1S/C10H15BrN2S/c11-9-3-5-14-10(9)7-13-4-1-2-8(12)6-13/h3,5,8H,1-2,4,6-7,12H2/t8-/m1/s1
InChIKeyWHIQDKFABAFNJI-MRVPVSSYSA-N
MW275.21 g/mol
LogP2.43
Rot. Bonds2

About (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine

(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine (PubChem CID 102977246) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
PubChem CID102977246
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2sccc2Br)C1
InChIInChI=1S/C10H15BrN2S/c11-9-3-5-14-10(9)7-13-4-1-2-8(12)6-13/h3,5,8H,1-2,4,6-7,12H2/t8-/m1/s1
InChIKeyWHIQDKFABAFNJI-MRVPVSSYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62546532
1-[(3-bromothiophen-2-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918697
2-[[1-[(3-bromothiophen-2-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813867
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
1-[(3-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219166
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
CID 102977244
1-[(3-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine
CID 63973135
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486
1-[(4-bromo-3-nitrophenyl)methyl]piperidin-3-amine
CID 115558460
2-[1-[(3-bromothiophen-2-yl)methyl]azetidin-3-yl]acetic acid
CID 64617095
(3R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine;hydrochloride
CID 120846033

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine (CID 102977246) is (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine is N[C@@H]1CCCN(Cc2sccc2Br)C1.
What is the InChIKey of (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine?
The InChIKey is WHIQDKFABAFNJI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-9-3-5-14-10(9)7-13-4-1-2-8(12)6-13/h3,5,8H,1-2,4,6-7,12H2/t8-/m1/s1.
What are the key properties of (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine?
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine has a molecular weight of 275.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 102977246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).