1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine

C13H23N3S — CID 116942064

IUPAC1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine
SMILESCc1ccsc1C(N)CCCN1CCNCC1
InChIInChI=1S/C13H23N3S/c1-11-4-10-17-13(11)12(14)3-2-7-16-8-5-15-6-9-16/h4,10,12,15H,2-3,5-9,14H2,1H3
InChIKeyXDFXGMQASREICN-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.74
Rot. Bonds5

About 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine

1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine (PubChem CID 116942064) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine
PubChem CID116942064
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine
SMILESCc1ccsc1C(N)CCCN1CCNCC1
InChIInChI=1S/C13H23N3S/c1-11-4-10-17-13(11)12(14)3-2-7-16-8-5-15-6-9-16/h4,10,12,15H,2-3,5-9,14H2,1H3
InChIKeyXDFXGMQASREICN-UHFFFAOYSA-N
XLogP1.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
CID 171222710
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
1-[(1S)-1-(3-methylthiophen-2-yl)hexyl]piperazine
CID 171308967
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-one
CID 116920360
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 116939906
N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960907
N-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutanamide
CID 115178475
1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276192

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine (CID 116942064) is 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine is Cc1ccsc1C(N)CCCN1CCNCC1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine?
The InChIKey is XDFXGMQASREICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11-4-10-17-13(11)12(14)3-2-7-16-8-5-15-6-9-16/h4,10,12,15H,2-3,5-9,14H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine?
1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-4-piperazin-1-ylbutan-1-amine is sourced from PubChem (CID 116942064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).