1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride

C18H25ClN2OS — CID 6451642

IUPAC1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride
SMILESCc1ccccc1N1CCN(CCCOc2cccs2)CC1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-16-6-2-3-7-17(16)20-12-10-19(11-13-20)9-5-14-21-18-8-4-15-22-18;/h2-4,6-8,15H,5,9-14H2,1H3;1H
InChIKeyLHSALRSAMSISAT-UHFFFAOYSA-N
MW352.93 g/mol
LogP4.07
Rot. Bonds6

About 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride

1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride (PubChem CID 6451642) has the molecular formula C18H25ClN2OS and a molecular weight of 352.93 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride
PubChem CID6451642
Molecular FormulaC18H25ClN2OS
Molecular Weight352.93 g/mol
Exact Mass352.14
IUPAC Name1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride
SMILESCc1ccccc1N1CCN(CCCOc2cccs2)CC1.Cl
InChIInChI=1S/C18H24N2OS.ClH/c1-16-6-2-3-7-17(16)20-12-10-19(11-13-20)9-5-14-21-18-8-4-15-22-18;/h2-4,6-8,15H,5,9-14H2,1H3;1H
InChIKeyLHSALRSAMSISAT-UHFFFAOYSA-N
XLogP4.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.93
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
CID 21149439
N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
CID 10492743
3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
CID 10664387
6-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 14289489
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007
1-(2-methylphenyl)-4-[3-(4-phenyl-1,2,4-triazol-3-yl)propyl]piperazine
CID 15575696
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
1-[2-[2-(2,3-dimethylphenoxy)ethoxy]ethyl]-4-(2-methoxyphenyl)piperazine;dihydrochloride
CID 134154490
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302
2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 52941716

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride (CID 6451642) is 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride is Cc1ccccc1N1CCN(CCCOc2cccs2)CC1.Cl.
What is the InChIKey of 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride?
The InChIKey is LHSALRSAMSISAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS.ClH/c1-16-6-2-3-7-17(16)20-12-10-19(11-13-20)9-5-14-21-18-8-4-15-22-18;/h2-4,6-8,15H,5,9-14H2,1H3;1H.
What are the key properties of 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride?
1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride has a molecular weight of 352.93 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride is sourced from PubChem (CID 6451642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).