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

C13H27N3O — CID 55048859

IUPAC4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESCC(C)N1CCN(CC2(O)CCNCC2)CC1
InChIInChI=1S/C13H27N3O/c1-12(2)16-9-7-15(8-10-16)11-13(17)3-5-14-6-4-13/h12,14,17H,3-11H2,1-2H3
InChIKeyYHEDBAVCHVHGTL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.13
Rot. Bonds3

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

4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol (PubChem CID 55048859) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
PubChem CID55048859
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESCC(C)N1CCN(CC2(O)CCNCC2)CC1
InChIInChI=1S/C13H27N3O/c1-12(2)16-9-7-15(8-10-16)11-13(17)3-5-14-6-4-13/h12,14,17H,3-11H2,1-2H3
InChIKeyYHEDBAVCHVHGTL-UHFFFAOYSA-N
XLogP0.13
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclobutan-1-ol
CID 131701690
4-(azetidin-1-ylmethyl)azepan-4-ol
CID 84718848
4-(3-azaspiro[5.5]undecan-3-ylmethyl)piperidin-4-ol
CID 62936913
1-[(4-hydroxypiperidin-4-yl)methyl]piperidin-4-one
CID 126846921
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
1-(piperazin-1-ylmethyl)cyclobutan-1-ol
CID 82503232
3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol;dihydrochloride
CID 146675401
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol
CID 63608638
ethane;1-[4-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]heptane-1,6-dione
CID 172576329
4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one
CID 64693846
1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208031

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol (CID 55048859) is 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol is CC(C)N1CCN(CC2(O)CCNCC2)CC1.
What is the InChIKey of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
The InChIKey is YHEDBAVCHVHGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2)16-9-7-15(8-10-16)11-13(17)3-5-14-6-4-13/h12,14,17H,3-11H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol?
4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol has a molecular weight of 241.38 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 55048859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).