2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol

C12H26N2O — CID 10130595

IUPAC2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol
SMILESCC(CO)C1CCN(CCCCN)CC1
InChIInChI=1S/C12H26N2O/c1-11(10-15)12-4-8-14(9-5-12)7-3-2-6-13/h11-12,15H,2-10,13H2,1H3
InChIKeyDZCRLRIXXMTCRQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.07
Rot. Bonds6

About 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol

2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol (PubChem CID 10130595) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol
PubChem CID10130595
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol
SMILESCC(CO)C1CCN(CCCCN)CC1
InChIInChI=1S/C12H26N2O/c1-11(10-15)12-4-8-14(9-5-12)7-3-2-6-13/h11-12,15H,2-10,13H2,1H3
InChIKeyDZCRLRIXXMTCRQ-UHFFFAOYSA-N
XLogP1.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol?
The IUPAC name of 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol (CID 10130595) is 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol is CC(CO)C1CCN(CCCCN)CC1.
What is the InChIKey of 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol?
The InChIKey is DZCRLRIXXMTCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(10-15)12-4-8-14(9-5-12)7-3-2-6-13/h11-12,15H,2-10,13H2,1H3.
What are the key properties of 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol?
2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminobutyl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 10130595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).