1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine

C13H20BrNS — CID 83062360

IUPAC1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
SMILESCCCC1CCCCN1Cc1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-2-5-11-6-3-4-9-15(11)10-12-7-8-13(14)16-12/h7-8,11H,2-6,9-10H2,1H3
InChIKeyDYDPEKWMTLCGLF-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.67
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine

1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine (PubChem CID 83062360) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
PubChem CID83062360
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
SMILESCCCC1CCCCN1Cc1ccc(Br)s1
InChIInChI=1S/C13H20BrNS/c1-2-5-11-6-3-4-9-15(11)10-12-7-8-13(14)16-12/h7-8,11H,2-6,9-10H2,1H3
InChIKeyDYDPEKWMTLCGLF-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119927224
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
CID 64846473
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
1-[(5-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-2-propylpiperazine
CID 64849116
2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 63386952
2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
CID 83057106
1-[(5-bromothiophen-2-yl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832524

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine (CID 83062360) is 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine is CCCC1CCCCN1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine?
The InChIKey is DYDPEKWMTLCGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-2-5-11-6-3-4-9-15(11)10-12-7-8-13(14)16-12/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine?
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine has a molecular weight of 302.28 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine is sourced from PubChem (CID 83062360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).