N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine

C18H31N3O — CID 82201727

IUPACN-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)C(CN1CCNCC1)c1cccc(OC)c1
InChIInChI=1S/C18H31N3O/c1-4-5-11-20(2)18(15-21-12-9-19-10-13-21)16-7-6-8-17(14-16)22-3/h6-8,14,18-19H,4-5,9-13,15H2,1-3H3
InChIKeyHQTIBUZBHBHREF-UHFFFAOYSA-N
MW305.47 g/mol
LogP2.37
Rot. Bonds8

About N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine

N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine (PubChem CID 82201727) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine
PubChem CID82201727
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine
SMILESCCCCN(C)C(CN1CCNCC1)c1cccc(OC)c1
InChIInChI=1S/C18H31N3O/c1-4-5-11-20(2)18(15-21-12-9-19-10-13-21)16-7-6-8-17(14-16)22-3/h6-8,14,18-19H,4-5,9-13,15H2,1-3H3
InChIKeyHQTIBUZBHBHREF-UHFFFAOYSA-N
XLogP2.37
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethyl]piperazine
CID 129493110
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
1-(3-methoxyphenyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 116954977
2-[methyl-(2-piperazin-1-yl-1-pyridin-3-ylethyl)amino]ethanol
CID 82201784
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
1-[(1R)-1-(3-methoxyphenyl)-2-methylbutyl]piperazine
CID 171304320
1-(3-methoxyphenyl)-N,N-dimethyl-1-(1-methylpiperazin-2-yl)methanamine
CID 116910975
1-[(1S)-2-fluoro-1-(3-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181679
1-[(1R)-1-(3-methoxyphenyl)-3-methylbut-3-enyl]piperazine
CID 171286732
N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
CID 82201682
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine (CID 82201727) is N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine is CCCCN(C)C(CN1CCNCC1)c1cccc(OC)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine?
The InChIKey is HQTIBUZBHBHREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-4-5-11-20(2)18(15-21-12-9-19-10-13-21)16-7-6-8-17(14-16)22-3/h6-8,14,18-19H,4-5,9-13,15H2,1-3H3.
What are the key properties of N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine?
N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine has a molecular weight of 305.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]-N-methylbutan-1-amine is sourced from PubChem (CID 82201727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).