1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol

C14H28N2O — CID 83991148

IUPAC1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
SMILESCCCNC1CC(C(O)CC)CN(C2CC2)C1
InChIInChI=1S/C14H28N2O/c1-3-7-15-12-8-11(14(17)4-2)9-16(10-12)13-5-6-13/h11-15,17H,3-10H2,1-2H3
InChIKeyHWMUMDXXHSREAZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds6

About 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol

1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83991148) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
PubChem CID83991148
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
SMILESCCCNC1CC(C(O)CC)CN(C2CC2)C1
InChIInChI=1S/C14H28N2O/c1-3-7-15-12-8-11(14(17)4-2)9-16(10-12)13-5-6-13/h11-15,17H,3-10H2,1-2H3
InChIKeyHWMUMDXXHSREAZ-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol (CID 83991148) is 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol is CCCNC1CC(C(O)CC)CN(C2CC2)C1.
What is the InChIKey of 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is HWMUMDXXHSREAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-7-15-12-8-11(14(17)4-2)9-16(10-12)13-5-6-13/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol?
1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83991148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).