4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid

C12H24N2O3 — CID 71564984

IUPAC4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid
SMILESCCOCCCNC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C12H24N2O3/c1-3-17-10-4-7-13-12(11(15)16)5-8-14(2)9-6-12/h13H,3-10H2,1-2H3,(H,15,16)
InChIKeyOGNLLVNMOWIXBC-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.55
Rot. Bonds7

About 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid

4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid (PubChem CID 71564984) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid
PubChem CID71564984
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid
SMILESCCOCCCNC1(C(=O)O)CCN(C)CC1
InChIInChI=1S/C12H24N2O3/c1-3-17-10-4-7-13-12(11(15)16)5-8-14(2)9-6-12/h13H,3-10H2,1-2H3,(H,15,16)
InChIKeyOGNLLVNMOWIXBC-UHFFFAOYSA-N
XLogP0.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-(3-ethoxypropylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 61190263
1-(3-ethoxypropylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63135648
3-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62655051
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
N-(4-cyano-1-methylpiperidin-4-yl)-4-ethoxybutanamide
CID 112728083
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
1-(3-propoxypropylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 82943619
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 65075425
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
4-(cyclopentylamino)-1-methylazepane-4-carboxylic acid
CID 65075216

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid (CID 71564984) is 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid is CCOCCCNC1(C(=O)O)CCN(C)CC1.
What is the InChIKey of 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid?
The InChIKey is OGNLLVNMOWIXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-17-10-4-7-13-12(11(15)16)5-8-14(2)9-6-12/h13H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid?
4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 71564984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).