[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride

C14H24ClN3OS — CID 120847972

IUPAC[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(CC(C)(C)N)CC2)s1.Cl
InChIInChI=1S/C14H23N3OS.ClH/c1-11-4-5-12(19-11)13(18)17-8-6-16(7-9-17)10-14(2,3)15;/h4-5H,6-10,15H2,1-3H3;1H
InChIKeyZSBYUZSNTPKHOC-UHFFFAOYSA-N
MW317.89 g/mol
LogP1.97
Rot. Bonds3

About [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride

[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride (PubChem CID 120847972) has the molecular formula C14H24ClN3OS and a molecular weight of 317.89 g/mol. Its IUPAC name is [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
PubChem CID120847972
Molecular FormulaC14H24ClN3OS
Molecular Weight317.89 g/mol
Exact Mass317.13
IUPAC Name[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(CC(C)(C)N)CC2)s1.Cl
InChIInChI=1S/C14H23N3OS.ClH/c1-11-4-5-12(19-11)13(18)17-8-6-16(7-9-17)10-14(2,3)15;/h4-5H,6-10,15H2,1-3H3;1H
InChIKeyZSBYUZSNTPKHOC-UHFFFAOYSA-N
XLogP1.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.89
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120858098
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119301454
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 47314564
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
4-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanamide
CID 155937619
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 51177010
(5-methylthiophen-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 118142582
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 134017425
[4-[2-hydroxy-2-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 111476671
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120625090

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride (CID 120847972) is [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride is Cc1ccc(C(=O)N2CCN(CC(C)(C)N)CC2)s1.Cl.
What is the InChIKey of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride?
The InChIKey is ZSBYUZSNTPKHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.ClH/c1-11-4-5-12(19-11)13(18)17-8-6-16(7-9-17)10-14(2,3)15;/h4-5H,6-10,15H2,1-3H3;1H.
What are the key properties of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride?
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride has a molecular weight of 317.89 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120847972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).