1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol

C12H18BrNOS — CID 114510889

IUPAC1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(Cc2cc(Br)cs2)CCC1O
InChIInChI=1S/C12H18BrNOS/c1-2-9-6-14(4-3-12(9)15)7-11-5-10(13)8-16-11/h5,8-9,12,15H,2-4,6-7H2,1H3
InChIKeyXOZKUMAXJDDGQR-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.10
Rot. Bonds3

About 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol

1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol (PubChem CID 114510889) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
PubChem CID114510889
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
SMILESCCC1CN(Cc2cc(Br)cs2)CCC1O
InChIInChI=1S/C12H18BrNOS/c1-2-9-6-14(4-3-12(9)15)7-11-5-10(13)8-16-11/h5,8-9,12,15H,2-4,6-7H2,1H3
InChIKeyXOZKUMAXJDDGQR-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 130770047
1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol;oxalic acid
CID 45156056
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
CID 63594782
N-[[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928141
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol (CID 114510889) is 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol is CCC1CN(Cc2cc(Br)cs2)CCC1O.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol?
The InChIKey is XOZKUMAXJDDGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-2-9-6-14(4-3-12(9)15)7-11-5-10(13)8-16-11/h5,8-9,12,15H,2-4,6-7H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol?
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol has a molecular weight of 304.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol is sourced from PubChem (CID 114510889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).