(3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine

C10H14BrNOS — CID 66247972

IUPAC(3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine
SMILESBrc1csc(CO[C@H]2CCCNC2)c1
InChIInChI=1S/C10H14BrNOS/c11-8-4-10(14-7-8)6-13-9-2-1-3-12-5-9/h4,7,9,12H,1-3,5-6H2/t9-/m0/s1
InChIKeyNAMURUYOSWZYGM-VIFPVBQESA-N
MW276.20 g/mol
LogP2.78
Rot. Bonds3

About (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine

(3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine (PubChem CID 66247972) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine.

Molecular Properties

Compound Name(3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine
PubChem CID66247972
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name(3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine
SMILESBrc1csc(CO[C@H]2CCCNC2)c1
InChIInChI=1S/C10H14BrNOS/c11-8-4-10(14-7-8)6-13-9-2-1-3-12-5-9/h4,7,9,12H,1-3,5-6H2/t9-/m0/s1
InChIKeyNAMURUYOSWZYGM-VIFPVBQESA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine?
The IUPAC name of (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine (CID 66247972) is (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine.
What is the SMILES notation for (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine?
The canonical SMILES for (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine is Brc1csc(CO[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine?
The InChIKey is NAMURUYOSWZYGM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-8-4-10(14-7-8)6-13-9-2-1-3-12-5-9/h4,7,9,12H,1-3,5-6H2/t9-/m0/s1.
What are the key properties of (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine?
(3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine has a molecular weight of 276.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-bromothiophen-2-yl)methoxy]piperidine is sourced from PubChem (CID 66247972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).