2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol

C18H36N2O — CID 58601024

IUPAC2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol
SMILESCC(C)N1CCC(CCCC2CCN(CCO)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-16(2)20-12-8-18(9-13-20)5-3-4-17-6-10-19(11-7-17)14-15-21/h16-18,21H,3-15H2,1-2H3
InChIKeyJMAPUYGZKYHDLG-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.98
Rot. Bonds7

About 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol

2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol (PubChem CID 58601024) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol
PubChem CID58601024
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol
SMILESCC(C)N1CCC(CCCC2CCN(CCO)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-16(2)20-12-8-18(9-13-20)5-3-4-17-6-10-19(11-7-17)14-15-21/h16-18,21H,3-15H2,1-2H3
InChIKeyJMAPUYGZKYHDLG-UHFFFAOYSA-N
XLogP2.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol (CID 58601024) is 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol is CC(C)N1CCC(CCCC2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol?
The InChIKey is JMAPUYGZKYHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-16(2)20-12-8-18(9-13-20)5-3-4-17-6-10-19(11-7-17)14-15-21/h16-18,21H,3-15H2,1-2H3.
What are the key properties of 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol?
2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol has a molecular weight of 296.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 58601024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).