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

C13H29N3O — CID 55089801

IUPAC1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCOCCCNCCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-15(2)13-5-9-16(10-6-13)11-8-14-7-4-12-17-3/h13-14H,4-12H2,1-3H3
InChIKeyDXQSHMVLTQYZFQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds8

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

1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 55089801) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
PubChem CID55089801
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine
SMILESCOCCCNCCN1CCC(N(C)C)CC1
InChIInChI=1S/C13H29N3O/c1-15(2)13-5-9-16(10-6-13)11-8-14-7-4-12-17-3/h13-14H,4-12H2,1-3H3
InChIKeyDXQSHMVLTQYZFQ-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
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-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 55089962
3-methoxy-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 63167922
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
N,N-dimethyl-1-[2-(4-methylpentylamino)ethyl]pyrrolidin-3-amine
CID 63167526
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 79936511
3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
CID 62574425
3-(4-ethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62562042
N'-(1-ethylpiperidin-4-yl)-N-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62563787
N-(3-methoxypropyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234739
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 64582805
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine (CID 55089801) is 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine is COCCCNCCN1CCC(N(C)C)CC1.
What is the InChIKey of 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is DXQSHMVLTQYZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-15(2)13-5-9-16(10-6-13)11-8-14-7-4-12-17-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine?
1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylamino)ethyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 55089801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).