1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine

C16H26N2O — CID 102959014

IUPAC1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C16H26N2O/c1-4-14(17)13-7-5-6-8-15(13)18-10-9-12(2)16(11-18)19-3/h5-8,12,14,16H,4,9-11,17H2,1-3H3
InChIKeyULRXMMXKHZTABO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine

1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine (PubChem CID 102959014) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
PubChem CID102959014
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C16H26N2O/c1-4-14(17)13-7-5-6-8-15(13)18-10-9-12(2)16(11-18)19-3/h5-8,12,14,16H,4,9-11,17H2,1-3H3
InChIKeyULRXMMXKHZTABO-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103959095
1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
CID 102956236
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine (CID 102959014) is 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCC(C)C(OC)C1.
What is the InChIKey of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine?
The InChIKey is ULRXMMXKHZTABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-14(17)13-7-5-6-8-15(13)18-10-9-12(2)16(11-18)19-3/h5-8,12,14,16H,4,9-11,17H2,1-3H3.
What are the key properties of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine?
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 102959014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).