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

C12H26N2O2 — CID 103178542

IUPACN-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
SMILESCOCCCOCCNC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-14-7-4-12(5-8-14)13-6-11-16-10-3-9-15-2/h12-13H,3-11H2,1-2H3
InChIKeyJDGSBTYSXWJAID-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds8

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

N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine (PubChem CID 103178542) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
PubChem CID103178542
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
SMILESCOCCCOCCNC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-14-7-4-12(5-8-14)13-6-11-16-10-3-9-15-2/h12-13H,3-11H2,1-2H3
InChIKeyJDGSBTYSXWJAID-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
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

N-[3-(2-methoxyethoxy)propyl]-1-methylpiperidin-4-amine
CID 28720517
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 103179062
1-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
CID 54961713
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
2-(3-methoxypropoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 103178617
N-(cyclopropylmethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103181632
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
1-(2-aminoethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 117027502
N-(3-cyclohexyloxypropyl)-1-methylpiperidin-4-amine
CID 28720054
1-(cyclopropylmethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 115705566
3-[[1-(2-methoxyethyl)piperidin-4-yl]amino]propan-1-ol
CID 115705235

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine (CID 103178542) is N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine is COCCCOCCNC1CCN(C)CC1.
What is the InChIKey of N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine?
The InChIKey is JDGSBTYSXWJAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14-7-4-12(5-8-14)13-6-11-16-10-3-9-15-2/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine?
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 103178542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).