(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine

C10H15BrN2S — CID 102977244

IUPAC(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2csc(Br)c2)C1
InChIInChI=1S/C10H15BrN2S/c11-10-4-8(7-14-10)5-13-3-1-2-9(12)6-13/h4,7,9H,1-3,5-6,12H2/t9-/m1/s1
InChIKeyMDBTWDXZIGBWCR-SECBINFHSA-N
MW275.21 g/mol
LogP2.43
Rot. Bonds2

About (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine

(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine (PubChem CID 102977244) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
PubChem CID102977244
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2csc(Br)c2)C1
InChIInChI=1S/C10H15BrN2S/c11-10-4-8(7-14-10)5-13-3-1-2-9(12)6-13/h4,7,9H,1-3,5-6,12H2/t9-/m1/s1
InChIKeyMDBTWDXZIGBWCR-SECBINFHSA-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

[(3S)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]methylurea
CID 94190626
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640
1-[(3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-yl]imidazolidin-2-one
CID 94216420
3-[(5-bromothiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927432
1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774960
(3R)-1-[(3-bromo-4-methylphenyl)methyl]piperidin-3-amine
CID 99717486
1-[(3,5-dimethylphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910098
(3R)-1-[(3-bromothiophen-2-yl)methyl]piperidin-3-amine
CID 102977246
(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008
1-[(5-bromothiophen-3-yl)methyl]-3-methoxyazetidine
CID 130703844
1-[(4-bromo-3-nitrophenyl)methyl]piperidin-3-amine
CID 115558460
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine (CID 102977244) is (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine is N[C@@H]1CCCN(Cc2csc(Br)c2)C1.
What is the InChIKey of (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine?
The InChIKey is MDBTWDXZIGBWCR-SECBINFHSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-10-4-8(7-14-10)5-13-3-1-2-9(12)6-13/h4,7,9H,1-3,5-6,12H2/t9-/m1/s1.
What are the key properties of (3R)-1-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine?
(3R)-1-[(5-bromothiophen-3-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-[(5-bromothiophen-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 102977244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).