1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine

C26H37N3O — CID 140993259

IUPAC1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1ccc(N2CCC(CCCc3ccccc3)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C26H37N3O/c1-27-17-19-29(20-18-27)25-21-24(11-12-26(25)30-2)28-15-13-23(14-16-28)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-12,21,23H,6,9-10,13-20H2,1-2H3
InChIKeyUPSYGQSPOMHVIR-UHFFFAOYSA-N
MW407.60 g/mol
LogP4.69
Rot. Bonds7

About 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine

1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine (PubChem CID 140993259) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
PubChem CID140993259
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
SMILESCOc1ccc(N2CCC(CCCc3ccccc3)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C26H37N3O/c1-27-17-19-29(20-18-27)25-21-24(11-12-26(25)30-2)28-15-13-23(14-16-28)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-12,21,23H,6,9-10,13-20H2,1-2H3
InChIKeyUPSYGQSPOMHVIR-UHFFFAOYSA-N
XLogP4.69
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
CID 140993283
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 53358105
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
1-phenyl-4-[3-[4-(trifluoromethoxy)phenyl]propyl]piperidine
CID 141113382
3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole
CID 141072209

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine (CID 140993259) is 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine is COc1ccc(N2CCC(CCCc3ccccc3)CC2)cc1N1CCN(C)CC1.
What is the InChIKey of 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine?
The InChIKey is UPSYGQSPOMHVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-27-17-19-29(20-18-27)25-21-24(11-12-26(25)30-2)28-15-13-23(14-16-28)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-12,21,23H,6,9-10,13-20H2,1-2H3.
What are the key properties of 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine?
1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine has a molecular weight of 407.60 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 140993259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).