1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol

C13H26N2O — CID 63849462

IUPAC1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-13(16)10-15-7-5-11(6-8-15)9-14-12-3-4-12/h11-14,16H,2-10H2,1H3
InChIKeyJXDOXOXSTZRGAZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds6

About 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol

1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol (PubChem CID 63849462) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol
PubChem CID63849462
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol
SMILESCCC(O)CN1CCC(CNC2CC2)CC1
InChIInChI=1S/C13H26N2O/c1-2-13(16)10-15-7-5-11(6-8-15)9-14-12-3-4-12/h11-14,16H,2-10H2,1H3
InChIKeyJXDOXOXSTZRGAZ-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol (CID 63849462) is 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol is CCC(O)CN1CCC(CNC2CC2)CC1.
What is the InChIKey of 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol?
The InChIKey is JXDOXOXSTZRGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-13(16)10-15-7-5-11(6-8-15)9-14-12-3-4-12/h11-14,16H,2-10H2,1H3.
What are the key properties of 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol?
1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(cyclopropylamino)methyl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 63849462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).