1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine

C16H27N3O — CID 80730032

IUPAC1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCCCOc1cc(N)cc(N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C16H27N3O/c1-4-9-20-16-11-13(17)10-15(12-16)19-7-5-14(6-8-19)18(2)3/h10-12,14H,4-9,17H2,1-3H3
InChIKeyBYFDSDBBDOZPGX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds5

About 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine

1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 80730032) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine
PubChem CID80730032
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine
SMILESCCCOc1cc(N)cc(N2CCC(N(C)C)CC2)c1
InChIInChI=1S/C16H27N3O/c1-4-9-20-16-11-13(17)10-15(12-16)19-7-5-14(6-8-19)18(2)3/h10-12,14H,4-9,17H2,1-3H3
InChIKeyBYFDSDBBDOZPGX-UHFFFAOYSA-N
XLogP2.59
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-propoxyaniline
CID 80739834
3-(4-ethoxypiperidin-1-yl)-5-propoxyaniline
CID 80731611
3-(4-methylazepan-1-yl)-5-propoxyaniline
CID 80735346
3-(4-cyclopropylpiperazin-1-yl)-5-propoxyaniline
CID 80727202
1-(3-amino-5-propoxyphenyl)piperidine-4-carboxamide
CID 80725596
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-propoxyaniline
CID 80725023
1-(3-amino-5-propoxyphenyl)pyrrolidine-3,4-diol
CID 106667631
3-(4,4-diethylpiperidin-1-yl)-5-propoxyaniline
CID 80740038
3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
CID 102955686
[1-(3-amino-5-propoxyphenyl)piperidin-3-yl]methanol
CID 80731187
3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline
CID 80731205
3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505085

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine (CID 80730032) is 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine is CCCOc1cc(N)cc(N2CCC(N(C)C)CC2)c1.
What is the InChIKey of 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is BYFDSDBBDOZPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-20-16-11-13(17)10-15(12-16)19-7-5-14(6-8-19)18(2)3/h10-12,14H,4-9,17H2,1-3H3.
What are the key properties of 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine?
1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-propoxyphenyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 80730032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).