1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine

C28H41N3O — CID 57233729

IUPAC1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine
SMILESCN1CCN(c2ccccc2OCCCCCCN2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C28H41N3O/c1-29-20-22-31(23-21-29)27-13-7-8-14-28(27)32-24-10-3-2-9-17-30-18-15-26(16-19-30)25-11-5-4-6-12-25/h4-8,11-14,26H,2-3,9-10,15-24H2,1H3
InChIKeyUVWBPQDGNNCZOG-UHFFFAOYSA-N
MW435.66 g/mol
LogP5.26
Rot. Bonds10

About 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine

1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine (PubChem CID 57233729) has the molecular formula C28H41N3O and a molecular weight of 435.66 g/mol. Its IUPAC name is 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine
PubChem CID57233729
Molecular FormulaC28H41N3O
Molecular Weight435.66 g/mol
Exact Mass435.32
IUPAC Name1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine
SMILESCN1CCN(c2ccccc2OCCCCCCN2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C28H41N3O/c1-29-20-22-31(23-21-29)27-13-7-8-14-28(27)32-24-10-3-2-9-17-30-18-15-26(16-19-30)25-11-5-4-6-12-25/h4-8,11-14,26H,2-3,9-10,15-24H2,1H3
InChIKeyUVWBPQDGNNCZOG-UHFFFAOYSA-N
XLogP5.26
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[5-(4-phenylpiperidin-1-yl)pentyl]aniline
CID 15840984
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 110185748
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine
CID 162576798
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
2-[3-[4-(2-hexoxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-diol
CID 91375367
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817405
4-[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]butanoic acid
CID 119994243
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine (CID 57233729) is 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine is CN1CCN(c2ccccc2OCCCCCCN2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine?
The InChIKey is UVWBPQDGNNCZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O/c1-29-20-22-31(23-21-29)27-13-7-8-14-28(27)32-24-10-3-2-9-17-30-18-15-26(16-19-30)25-11-5-4-6-12-25/h4-8,11-14,26H,2-3,9-10,15-24H2,1H3.
What are the key properties of 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine?
1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine has a molecular weight of 435.66 g/mol, XLogP of 5.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine is sourced from PubChem (CID 57233729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).