5-(2-piperazin-1-ylpropyl)-2-propoxyaniline

C16H27N3O — CID 82256278

IUPAC5-(2-piperazin-1-ylpropyl)-2-propoxyaniline
SMILESCCCOc1ccc(CC(C)N2CCNCC2)cc1N
InChIInChI=1S/C16H27N3O/c1-3-10-20-16-5-4-14(12-15(16)17)11-13(2)19-8-6-18-7-9-19/h4-5,12-13,18H,3,6-11,17H2,1-2H3
InChIKeyNQZFJPNWOKBSCV-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.89
Rot. Bonds6

About 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline

5-(2-piperazin-1-ylpropyl)-2-propoxyaniline (PubChem CID 82256278) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline.

Molecular Properties

Compound Name5-(2-piperazin-1-ylpropyl)-2-propoxyaniline
PubChem CID82256278
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(2-piperazin-1-ylpropyl)-2-propoxyaniline
SMILESCCCOc1ccc(CC(C)N2CCNCC2)cc1N
InChIInChI=1S/C16H27N3O/c1-3-10-20-16-5-4-14(12-15(16)17)11-13(2)19-8-6-18-7-9-19/h4-5,12-13,18H,3,6-11,17H2,1-2H3
InChIKeyNQZFJPNWOKBSCV-UHFFFAOYSA-N
XLogP1.89
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(2-piperazin-1-ylpropyl)phenol
CID 82024247
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
5-[2-(azepan-1-yl)ethyl]-2-propoxyaniline
CID 82256209
5-[2-[2-(4-fluorophenyl)ethylamino]propyl]-2-propoxyaniline
CID 82257704
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616
5-(2-piperazin-1-ylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 82500602
1-[1-(3-bromophenyl)propan-2-yl]piperazine
CID 82024249
4-(4-butan-2-ylpiperazin-1-yl)-2-propoxyaniline
CID 63677340
5-[3-(4-ethylpiperazin-1-yl)propyl]-2-propoxyaniline
CID 82153563
1-[3-(4-methoxy-3-propoxyphenyl)propyl]piperazine
CID 82160590
5-(3-piperazin-1-ylpropyl)-2-propan-2-yloxyaniline
CID 82071077
4-propoxybenzene-1,3-diamine
CID 69462115

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline?
The IUPAC name of 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline (CID 82256278) is 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline.
What is the SMILES notation for 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline?
The canonical SMILES for 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline is CCCOc1ccc(CC(C)N2CCNCC2)cc1N.
What is the InChIKey of 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline?
The InChIKey is NQZFJPNWOKBSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-10-20-16-5-4-14(12-15(16)17)11-13(2)19-8-6-18-7-9-19/h4-5,12-13,18H,3,6-11,17H2,1-2H3.
What are the key properties of 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline?
5-(2-piperazin-1-ylpropyl)-2-propoxyaniline has a molecular weight of 277.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-ylpropyl)-2-propoxyaniline is sourced from PubChem (CID 82256278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).