1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol

C16H32N2O2 — CID 107263874

IUPAC1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H32N2O2/c1-2-3-11-20-14-16(19)13-17-10-7-15(12-17)18-8-5-4-6-9-18/h15-16,19H,2-14H2,1H3
InChIKeyRAWQSHKEAMTMNP-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.72
Rot. Bonds8

About 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol

1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol (PubChem CID 107263874) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol
PubChem CID107263874
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C16H32N2O2/c1-2-3-11-20-14-16(19)13-17-10-7-15(12-17)18-8-5-4-6-9-18/h15-16,19H,2-14H2,1H3
InChIKeyRAWQSHKEAMTMNP-UHFFFAOYSA-N
XLogP1.72
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol (CID 107263874) is 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol is CCCCOCC(O)CN1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is RAWQSHKEAMTMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-11-20-14-16(19)13-17-10-7-15(12-17)18-8-5-4-6-9-18/h15-16,19H,2-14H2,1H3.
What are the key properties of 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol?
1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 107263874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).