3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol

C19H30N2O3 — CID 70788351

IUPAC3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(OCC2CCN(CC3(O)CCCNC3)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-23-17-3-5-18(6-4-17)24-13-16-7-11-21(12-8-16)15-19(22)9-2-10-20-14-19/h3-6,16,20,22H,2,7-15H2,1H3
InChIKeyFCVOVNGZNCESGB-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.90
Rot. Bonds6

About 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol

3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol (PubChem CID 70788351) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol
PubChem CID70788351
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol
SMILESCOc1ccc(OCC2CCN(CC3(O)CCCNC3)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-23-17-3-5-18(6-4-17)24-13-16-7-11-21(12-8-16)15-19(22)9-2-10-20-14-19/h3-6,16,20,22H,2,7-15H2,1H3
InChIKeyFCVOVNGZNCESGB-UHFFFAOYSA-N
XLogP1.90
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol (CID 70788351) is 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol is COc1ccc(OCC2CCN(CC3(O)CCCNC3)CC2)cc1.
What is the InChIKey of 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol?
The InChIKey is FCVOVNGZNCESGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-23-17-3-5-18(6-4-17)24-13-16-7-11-21(12-8-16)15-19(22)9-2-10-20-14-19/h3-6,16,20,22H,2,7-15H2,1H3.
What are the key properties of 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol?
3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol has a molecular weight of 334.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70788351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).