(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine

C10H15BrN2S — CID 82307070

IUPAC(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
SMILESNC(c1cc(Br)cs1)C1CCNCC1
InChIInChI=1S/C10H15BrN2S/c11-8-5-9(14-6-8)10(12)7-1-3-13-4-2-7/h5-7,10,13H,1-4,12H2
InChIKeyDMNQOFWYONZGDP-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.51
Rot. Bonds2

About (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine

(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine (PubChem CID 82307070) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
PubChem CID82307070
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
SMILESNC(c1cc(Br)cs1)C1CCNCC1
InChIInChI=1S/C10H15BrN2S/c11-8-5-9(14-6-8)10(12)7-1-3-13-4-2-7/h5-7,10,13H,1-4,12H2
InChIKeyDMNQOFWYONZGDP-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314278
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
CID 131000476
(4-bromothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914594
(4-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914498
(R)-(4-chlorothiophen-2-yl)-cyclopropylmethanamine
CID 130664775
(R)-(5-bromo-3-pyridinyl)-piperidin-4-ylmethanamine
CID 171314087
(R)-(5-chlorothiophen-2-yl)-piperidin-4-ylmethanamine
CID 95448503
(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine
CID 171314429
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine?
The IUPAC name of (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine (CID 82307070) is (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine is NC(c1cc(Br)cs1)C1CCNCC1.
What is the InChIKey of (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine?
The InChIKey is DMNQOFWYONZGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-8-5-9(14-6-8)10(12)7-1-3-13-4-2-7/h5-7,10,13H,1-4,12H2.
What are the key properties of (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine?
(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine has a molecular weight of 275.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 82307070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).