5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol

C18H30N2O — CID 83960901

IUPAC5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
SMILESCC1CCN(Cc2ccc(NCCCCCO)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-16-9-12-20(13-10-16)15-17-5-7-18(8-6-17)19-11-3-2-4-14-21/h5-8,16,19,21H,2-4,9-15H2,1H3
InChIKeyXLJJUQXTJZEJQY-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.49
Rot. Bonds8

About 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol

5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol (PubChem CID 83960901) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
PubChem CID83960901
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol
SMILESCC1CCN(Cc2ccc(NCCCCCO)cc2)CC1
InChIInChI=1S/C18H30N2O/c1-16-9-12-20(13-10-16)15-17-5-7-18(8-6-17)19-11-3-2-4-14-21/h5-8,16,19,21H,2-4,9-15H2,1H3
InChIKeyXLJJUQXTJZEJQY-UHFFFAOYSA-N
XLogP3.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
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-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol?
The IUPAC name of 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol (CID 83960901) is 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol.
What is the SMILES notation for 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol?
The canonical SMILES for 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol is CC1CCN(Cc2ccc(NCCCCCO)cc2)CC1.
What is the InChIKey of 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol?
The InChIKey is XLJJUQXTJZEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16-9-12-20(13-10-16)15-17-5-7-18(8-6-17)19-11-3-2-4-14-21/h5-8,16,19,21H,2-4,9-15H2,1H3.
What are the key properties of 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol?
5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pentan-1-ol is sourced from PubChem (CID 83960901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).