5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol

C17H34N2O — CID 56790233

IUPAC5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
SMILESCC1CCCCN1CC1CCCN(CCCCCO)C1
InChIInChI=1S/C17H34N2O/c1-16-8-3-5-12-19(16)15-17-9-7-11-18(14-17)10-4-2-6-13-20/h16-17,20H,2-15H2,1H3
InChIKeyOFYHBCULHPANFM-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.74
Rot. Bonds7

About 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol

5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol (PubChem CID 56790233) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
PubChem CID56790233
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
SMILESCC1CCCCN1CC1CCCN(CCCCCO)C1
InChIInChI=1S/C17H34N2O/c1-16-8-3-5-12-19(16)15-17-9-7-11-18(14-17)10-4-2-6-13-20/h16-17,20H,2-15H2,1H3
InChIKeyOFYHBCULHPANFM-UHFFFAOYSA-N
XLogP2.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
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 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol (CID 56790233) is 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol is CC1CCCCN1CC1CCCN(CCCCCO)C1.
What is the InChIKey of 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
The InChIKey is OFYHBCULHPANFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16-8-3-5-12-19(16)15-17-9-7-11-18(14-17)10-4-2-6-13-20/h16-17,20H,2-15H2,1H3.
What are the key properties of 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol?
5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]pentan-1-ol is sourced from PubChem (CID 56790233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).