4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol

C21H28N2O2 — CID 166305816

IUPAC4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol
SMILESCC(NCc1ccc(COc2ccccc2)cc1)C1(O)CCNCC1
InChIInChI=1S/C21H28N2O2/c1-17(21(24)11-13-22-14-12-21)23-15-18-7-9-19(10-8-18)16-25-20-5-3-2-4-6-20/h2-10,17,22-24H,11-16H2,1H3
InChIKeyUNNDMOKPCJYMBL-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.86
Rot. Bonds7

About 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol

4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol (PubChem CID 166305816) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol
PubChem CID166305816
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol
SMILESCC(NCc1ccc(COc2ccccc2)cc1)C1(O)CCNCC1
InChIInChI=1S/C21H28N2O2/c1-17(21(24)11-13-22-14-12-21)23-15-18-7-9-19(10-8-18)16-25-20-5-3-2-4-6-20/h2-10,17,22-24H,11-16H2,1H3
InChIKeyUNNDMOKPCJYMBL-UHFFFAOYSA-N
XLogP2.86
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol?
The IUPAC name of 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol (CID 166305816) is 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol?
The canonical SMILES for 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol is CC(NCc1ccc(COc2ccccc2)cc1)C1(O)CCNCC1.
What is the InChIKey of 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol?
The InChIKey is UNNDMOKPCJYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-17(21(24)11-13-22-14-12-21)23-15-18-7-9-19(10-8-18)16-25-20-5-3-2-4-6-20/h2-10,17,22-24H,11-16H2,1H3.
What are the key properties of 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol?
4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol has a molecular weight of 340.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(phenoxymethyl)phenyl]methylamino]ethyl]piperidin-4-ol is sourced from PubChem (CID 166305816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).