[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine

C16H26N2O2 — CID 115963202

IUPAC[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
SMILESCOc1cccc(C(C)N2CCC(OC)CC2CN)c1
InChIInChI=1S/C16H26N2O2/c1-12(13-5-4-6-15(9-13)19-2)18-8-7-16(20-3)10-14(18)11-17/h4-6,9,12,14,16H,7-8,10-11,17H2,1-3H3
InChIKeySLBJWYSYIJJWDK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.19
Rot. Bonds5

About [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine

[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine (PubChem CID 115963202) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
PubChem CID115963202
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
SMILESCOc1cccc(C(C)N2CCC(OC)CC2CN)c1
InChIInChI=1S/C16H26N2O2/c1-12(13-5-4-6-15(9-13)19-2)18-8-7-16(20-3)10-14(18)11-17/h4-6,9,12,14,16H,7-8,10-11,17H2,1-3H3
InChIKeySLBJWYSYIJJWDK-UHFFFAOYSA-N
XLogP2.19
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
CID 112621904
[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440458
[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
CID 115963082
[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
[1-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidin-2-yl]methanamine
CID 115963795
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
CID 106504519
4-ethyl-5-[1-(3-methoxyphenyl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210239
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 119484020
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 120799990

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine (CID 115963202) is [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine is COc1cccc(C(C)N2CCC(OC)CC2CN)c1.
What is the InChIKey of [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
The InChIKey is SLBJWYSYIJJWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(13-5-4-6-15(9-13)19-2)18-8-7-16(20-3)10-14(18)11-17/h4-6,9,12,14,16H,7-8,10-11,17H2,1-3H3.
What are the key properties of [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine?
[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 115963202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).