piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine

C14H23N3S — CID 116939801

IUPACpiperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3S/c1-11(2)18-13-5-3-12(4-6-13)14(15)17-9-7-16-8-10-17/h3-6,11,14,16H,7-10,15H2,1-2H3
InChIKeyOOOQPTOFKCQFHT-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.05
Rot. Bonds4

About piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine

piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine (PubChem CID 116939801) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Namepiperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
PubChem CID116939801
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Namepiperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1ccc(C(N)N2CCNCC2)cc1
InChIInChI=1S/C14H23N3S/c1-11(2)18-13-5-3-12(4-6-13)14(15)17-9-7-16-8-10-17/h3-6,11,14,16H,7-10,15H2,1-2H3
InChIKeyOOOQPTOFKCQFHT-UHFFFAOYSA-N
XLogP2.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
(4-tert-butylphenyl)-piperazin-1-ylmethanamine
CID 116939723
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 82264824
piperazin-1-yl-(4-propylphenyl)methanamine
CID 116939744
piperazin-1-yl(1H-pyrrol-3-yl)methanamine
CID 116939780
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
CID 116939742
1-[(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165322
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
(3-ethyl-4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939767
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812
1-[(1R)-3-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine;dihydrochloride
CID 171294587

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine?
The IUPAC name of piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine (CID 116939801) is piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine.
What is the SMILES notation for piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine?
The canonical SMILES for piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine is CC(C)Sc1ccc(C(N)N2CCNCC2)cc1.
What is the InChIKey of piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine?
The InChIKey is OOOQPTOFKCQFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11(2)18-13-5-3-12(4-6-13)14(15)17-9-7-16-8-10-17/h3-6,11,14,16H,7-10,15H2,1-2H3.
What are the key properties of piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine?
piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine has a molecular weight of 265.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(4-propan-2-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 116939801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).