1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine

C23H30N2O2 — CID 99930454

IUPAC1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine
SMILESc1ccc(OCCN2CCN(C[C@]3(c4ccccc4)CCOC3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-7-21(8-4-1)23(11-17-26-20-23)19-25-14-12-24(13-15-25)16-18-27-22-9-5-2-6-10-22/h1-10H,11-20H2/t23-/m1/s1
InChIKeyUYPSMOISBRAANJ-HSZRJFAPSA-N
MW366.50 g/mol
LogP3.04
Rot. Bonds7

About 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine

1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine (PubChem CID 99930454) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine
PubChem CID99930454
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine
SMILESc1ccc(OCCN2CCN(C[C@]3(c4ccccc4)CCOC3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-7-21(8-4-1)23(11-17-26-20-23)19-25-14-12-24(13-15-25)16-18-27-22-9-5-2-6-10-22/h1-10H,11-20H2/t23-/m1/s1
InChIKeyUYPSMOISBRAANJ-HSZRJFAPSA-N
XLogP3.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-8-[[(3R)-3-phenyloxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decane
CID 99928933
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
N-methyl-2-[4-[(3-phenyloxolan-3-yl)methyl]piperazin-1-yl]acetamide
CID 77093204
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 110905104
[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 46988116
[4-(aminomethyl)oxan-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 120938079
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine
CID 59837542
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]-1,4-thiazinane 1-oxide
CID 59837402
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
CID 11515488

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine?
The IUPAC name of 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine (CID 99930454) is 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine?
The canonical SMILES for 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine is c1ccc(OCCN2CCN(C[C@]3(c4ccccc4)CCOC3)CC2)cc1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine?
The InChIKey is UYPSMOISBRAANJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-7-21(8-4-1)23(11-17-26-20-23)19-25-14-12-24(13-15-25)16-18-27-22-9-5-2-6-10-22/h1-10H,11-20H2/t23-/m1/s1.
What are the key properties of 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine?
1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine has a molecular weight of 366.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine is sourced from PubChem (CID 99930454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).