4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol

C12H25N3O — CID 63608638

IUPAC4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESCC1CN(CC2(O)CCNCC2)CCN1C
InChIInChI=1S/C12H25N3O/c1-11-9-15(8-7-14(11)2)10-12(16)3-5-13-6-4-12/h11,13,16H,3-10H2,1-2H3
InChIKeyVELXUWHVJPQKCP-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.26
Rot. Bonds2

About 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol

4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol (PubChem CID 63608638) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol
PubChem CID63608638
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol
SMILESCC1CN(CC2(O)CCNCC2)CCN1C
InChIInChI=1S/C12H25N3O/c1-11-9-15(8-7-14(11)2)10-12(16)3-5-13-6-4-12/h11,13,16H,3-10H2,1-2H3
InChIKeyVELXUWHVJPQKCP-UHFFFAOYSA-N
XLogP-0.26
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol (CID 63608638) is 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol is CC1CN(CC2(O)CCNCC2)CCN1C.
What is the InChIKey of 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol?
The InChIKey is VELXUWHVJPQKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11-9-15(8-7-14(11)2)10-12(16)3-5-13-6-4-12/h11,13,16H,3-10H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol?
4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol has a molecular weight of 227.35 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpiperazin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 63608638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).