4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol

C21H34N2O2 — CID 141163536

IUPAC4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol
SMILESCC1CCCC(C)N1Cc1ccc(OCCC2(O)CCNCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-17-4-3-5-18(2)23(17)16-19-6-8-20(9-7-19)25-15-12-21(24)10-13-22-14-11-21/h6-9,17-18,22,24H,3-5,10-16H2,1-2H3
InChIKeyISLNYFINUIUGLP-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.33
Rot. Bonds6

About 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol

4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol (PubChem CID 141163536) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol
PubChem CID141163536
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol
SMILESCC1CCCC(C)N1Cc1ccc(OCCC2(O)CCNCC2)cc1
InChIInChI=1S/C21H34N2O2/c1-17-4-3-5-18(2)23(17)16-19-6-8-20(9-7-19)25-15-12-21(24)10-13-22-14-11-21/h6-9,17-18,22,24H,3-5,10-16H2,1-2H3
InChIKeyISLNYFINUIUGLP-UHFFFAOYSA-N
XLogP3.33
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol?
The IUPAC name of 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol (CID 141163536) is 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol?
The canonical SMILES for 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol is CC1CCCC(C)N1Cc1ccc(OCCC2(O)CCNCC2)cc1.
What is the InChIKey of 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol?
The InChIKey is ISLNYFINUIUGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-17-4-3-5-18(2)23(17)16-19-6-8-20(9-7-19)25-15-12-21(24)10-13-22-14-11-21/h6-9,17-18,22,24H,3-5,10-16H2,1-2H3.
What are the key properties of 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol?
4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol has a molecular weight of 346.52 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenoxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 141163536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).