1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol

C15H31N3O3 — CID 106992685

IUPAC1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C15H31N3O3/c1-20-8-9-21-12-15(19)11-17-5-4-14(10-17)18-6-2-13(16)3-7-18/h13-15,19H,2-12,16H2,1H3
InChIKeyFQNZQPXASMPDQK-UHFFFAOYSA-N
MW301.43 g/mol
LogP-0.49
Rot. Bonds8

About 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol

1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992685) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992685
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C15H31N3O3/c1-20-8-9-21-12-15(19)11-17-5-4-14(10-17)18-6-2-13(16)3-7-18/h13-15,19H,2-12,16H2,1H3
InChIKeyFQNZQPXASMPDQK-UHFFFAOYSA-N
XLogP-0.49
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992152
1-(3-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992226
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
1-butoxy-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 107263875
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992702
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 80553184

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol (CID 106992685) is 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is FQNZQPXASMPDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-20-8-9-21-12-15(19)11-17-5-4-14(10-17)18-6-2-13(16)3-7-18/h13-15,19H,2-12,16H2,1H3.
What are the key properties of 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 301.43 g/mol, XLogP of -0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).