1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine

C27H31ClN2O — CID 131880421

IUPAC1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine
SMILESClc1ccccc1C(OCCN1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H31ClN2O/c28-26-14-8-7-13-25(26)27(24-11-5-2-6-12-24)31-22-21-30-19-17-29(18-20-30)16-15-23-9-3-1-4-10-23/h1-14,27H,15-22H2
InChIKeyUMQJSRXMKJJDFE-UHFFFAOYSA-N
MW435.01 g/mol
LogP5.31
Rot. Bonds9

About 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine

1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine (PubChem CID 131880421) has the molecular formula C27H31ClN2O and a molecular weight of 435.01 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine
PubChem CID131880421
Molecular FormulaC27H31ClN2O
Molecular Weight435.01 g/mol
Exact Mass434.21
IUPAC Name1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine
SMILESClc1ccccc1C(OCCN1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H31ClN2O/c28-26-14-8-7-13-25(26)27(24-11-5-2-6-12-24)31-22-21-30-19-17-29(18-20-30)16-15-23-9-3-1-4-10-23/h1-14,27H,15-22H2
InChIKeyUMQJSRXMKJJDFE-UHFFFAOYSA-N
XLogP5.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.01
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853
1-[4-(2-benzhydryloxyethyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 10551204
1-(2-benzhydryloxyethyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 46102630
3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propanenitrile;hydrochloride
CID 54584728
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine (CID 131880421) is 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine is Clc1ccccc1C(OCCN1CCN(CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine?
The InChIKey is UMQJSRXMKJJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN2O/c28-26-14-8-7-13-25(26)27(24-11-5-2-6-12-24)31-22-21-30-19-17-29(18-20-30)16-15-23-9-3-1-4-10-23/h1-14,27H,15-22H2.
What are the key properties of 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine?
1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine has a molecular weight of 435.01 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 131880421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).