6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol

C18H36N2O — CID 57147095

IUPAC6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol
SMILESOCCC(CCCN1CCCCC1)CCC1CCCCN1
InChIInChI=1S/C18H36N2O/c21-16-11-17(9-10-18-8-2-3-12-19-18)7-6-15-20-13-4-1-5-14-20/h17-19,21H,1-16H2
InChIKeyXFNIOBDNUBYFAM-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.17
Rot. Bonds9

About 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol

6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol (PubChem CID 57147095) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol.

Molecular Properties

Compound Name6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol
PubChem CID57147095
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol
SMILESOCCC(CCCN1CCCCC1)CCC1CCCCN1
InChIInChI=1S/C18H36N2O/c21-16-11-17(9-10-18-8-2-3-12-19-18)7-6-15-20-13-4-1-5-14-20/h17-19,21H,1-16H2
InChIKeyXFNIOBDNUBYFAM-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol?
The IUPAC name of 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol (CID 57147095) is 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol.
What is the SMILES notation for 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol?
The canonical SMILES for 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol is OCCC(CCCN1CCCCC1)CCC1CCCCN1.
What is the InChIKey of 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol?
The InChIKey is XFNIOBDNUBYFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c21-16-11-17(9-10-18-8-2-3-12-19-18)7-6-15-20-13-4-1-5-14-20/h17-19,21H,1-16H2.
What are the key properties of 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol?
6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-3-(2-piperidin-2-ylethyl)hexan-1-ol is sourced from PubChem (CID 57147095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).