1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine

C13H28N2O2 — CID 103177262

IUPAC1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(CCOCCCOC)CC1C
InChIInChI=1S/C13H28N2O2/c1-12-11-15(6-5-13(12)14-2)7-10-17-9-4-8-16-3/h12-14H,4-11H2,1-3H3
InChIKeyXMRNFERUUJNTMK-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds8

About 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine

1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine (PubChem CID 103177262) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
PubChem CID103177262
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
SMILESCNC1CCN(CCOCCCOC)CC1C
InChIInChI=1S/C13H28N2O2/c1-12-11-15(6-5-13(12)14-2)7-10-17-9-4-8-16-3/h12-14H,4-11H2,1-3H3
InChIKeyXMRNFERUUJNTMK-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
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-(2-but-3-enoxyethyl)-N,3-dimethylpiperidin-4-amine
CID 106402299
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
3-[3-methyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114499058
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
N,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910883
1-(3-methoxypropyl)-N-methylpyrrolidin-3-amine
CID 43315586
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
4-chloro-1-(4-methoxybutyl)-3-methylpiperidine
CID 114682188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine (CID 103177262) is 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine is CNC1CCN(CCOCCCOC)CC1C.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine?
The InChIKey is XMRNFERUUJNTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12-11-15(6-5-13(12)14-2)7-10-17-9-4-8-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine?
1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 103177262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).