N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine

C22H38N2O2 — CID 110826980

IUPACN-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
SMILESCCCCCCCNCC(c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C22H38N2O2/c1-4-5-6-7-9-14-23-18-20(24-15-10-8-11-16-24)19-12-13-21(25-2)22(17-19)26-3/h12-13,17,20,23H,4-11,14-16,18H2,1-3H3
InChIKeyMEGTZTTYHDMOFW-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.79
Rot. Bonds12

About N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine

N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine (PubChem CID 110826980) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
PubChem CID110826980
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine
SMILESCCCCCCCNCC(c1ccc(OC)c(OC)c1)N1CCCCC1
InChIInChI=1S/C22H38N2O2/c1-4-5-6-7-9-14-23-18-20(24-15-10-8-11-16-24)19-12-13-21(25-2)22(17-19)26-3/h12-13,17,20,23H,4-11,14-16,18H2,1-3H3
InChIKeyMEGTZTTYHDMOFW-UHFFFAOYSA-N
XLogP4.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine
CID 92967700
N-[[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]sulfamoyl]propan-1-amine
CID 110622738
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 110826529
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(3,4-dimethoxyphenyl)-N-(ethylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110622752
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111162126
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbutanamide
CID 112505175
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
N'-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-1-naphthalen-1-ylmethanediamine
CID 110827295
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine (CID 110826980) is N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine is CCCCCCCNCC(c1ccc(OC)c(OC)c1)N1CCCCC1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine?
The InChIKey is MEGTZTTYHDMOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-4-5-6-7-9-14-23-18-20(24-15-10-8-11-16-24)19-12-13-21(25-2)22(17-19)26-3/h12-13,17,20,23H,4-11,14-16,18H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine?
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine has a molecular weight of 362.56 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]heptan-1-amine is sourced from PubChem (CID 110826980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).