1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine

C18H30N2O — CID 115995663

IUPAC1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-17(5-2)16-8-6-7-9-18(16)21-15-10-13-20(3)14-11-15/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyCOEQRBBLMAGPQH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds7

About 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine

1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine (PubChem CID 115995663) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
PubChem CID115995663
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OC1CCN(C)CC1
InChIInChI=1S/C18H30N2O/c1-4-12-19-17(5-2)16-8-6-7-9-18(16)21-15-10-13-20(3)14-11-15/h6-9,15,17,19H,4-5,10-14H2,1-3H3
InChIKeyCOEQRBBLMAGPQH-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
methyl 2-hydroxy-2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117447814
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
2-[1-[2-(1-methylpiperidin-4-yl)ethylamino]propyl]phenol
CID 114448733
N-methyl-N-[2-[2-[1-(propylamino)propyl]phenoxy]ethyl]cyclopropanamine
CID 102740250
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine
CID 64750411
1-[2-(4-methyl-1,4-diazepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994832
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43279172
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine (CID 115995663) is 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OC1CCN(C)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine?
The InChIKey is COEQRBBLMAGPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-19-17(5-2)16-8-6-7-9-18(16)21-15-10-13-20(3)14-11-15/h6-9,15,17,19H,4-5,10-14H2,1-3H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine?
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115995663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).