[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol

C23H31NO3 — CID 42566482

IUPAC[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
SMILESC[C@@H](COc1ccccc1)N1CCC(CO)(CCOc2ccccc2)CC1
InChIInChI=1S/C23H31NO3/c1-20(18-27-22-10-6-3-7-11-22)24-15-12-23(19-25,13-16-24)14-17-26-21-8-4-2-5-9-21/h2-11,20,25H,12-19H2,1H3/t20-/m0/s1
InChIKeySAMWJZHQRHXAQD-FQEVSTJZSA-N
MW369.50 g/mol
LogP4.00
Rot. Bonds9

About [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol

[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol (PubChem CID 42566482) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
PubChem CID42566482
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
SMILESC[C@@H](COc1ccccc1)N1CCC(CO)(CCOc2ccccc2)CC1
InChIInChI=1S/C23H31NO3/c1-20(18-27-22-10-6-3-7-11-22)24-15-12-23(19-25,13-16-24)14-17-26-21-8-4-2-5-9-21/h2-11,20,25H,12-19H2,1H3/t20-/m0/s1
InChIKeySAMWJZHQRHXAQD-FQEVSTJZSA-N
XLogP4.00
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol (CID 42566482) is [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol is C[C@@H](COc1ccccc1)N1CCC(CO)(CCOc2ccccc2)CC1.
What is the InChIKey of [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol?
The InChIKey is SAMWJZHQRHXAQD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31NO3/c1-20(18-27-22-10-6-3-7-11-22)24-15-12-23(19-25,13-16-24)14-17-26-21-8-4-2-5-9-21/h2-11,20,25H,12-19H2,1H3/t20-/m0/s1.
What are the key properties of [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol?
[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol has a molecular weight of 369.50 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 42566482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).