1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine

C25H35ClN2O2 — CID 94036752

IUPAC1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine
SMILESCCCc1cc(OC)ccc1OCCCCN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H35ClN2O2/c1-3-6-22-19-24(29-2)11-12-25(22)30-18-5-4-13-27-14-16-28(17-15-27)20-21-7-9-23(26)10-8-21/h7-12,19H,3-6,13-18,20H2,1-2H3
InChIKeyAKHVPXIZKPFDRW-UHFFFAOYSA-N
MW431.02 g/mol
LogP5.28
Rot. Bonds11

About 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine (PubChem CID 94036752) has the molecular formula C25H35ClN2O2 and a molecular weight of 431.02 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine
PubChem CID94036752
Molecular FormulaC25H35ClN2O2
Molecular Weight431.02 g/mol
Exact Mass430.24
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine
SMILESCCCc1cc(OC)ccc1OCCCCN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H35ClN2O2/c1-3-6-22-19-24(29-2)11-12-25(22)30-18-5-4-13-27-14-16-28(17-15-27)20-21-7-9-23(26)10-8-21/h7-12,19H,3-6,13-18,20H2,1-2H3
InChIKeyAKHVPXIZKPFDRW-UHFFFAOYSA-N
XLogP5.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.02
LogP ≤ 55.28
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

1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
N-[[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61493816
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[3-(2,5-dimethoxyphenyl)propyl]-4-methylpiperazine
CID 170862265
1-[5-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 61493815
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
1-[3-(2-benzylphenoxy)propyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 139743333
4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine (CID 94036752) is 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine is CCCc1cc(OC)ccc1OCCCCN1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine?
The InChIKey is AKHVPXIZKPFDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN2O2/c1-3-6-22-19-24(29-2)11-12-25(22)30-18-5-4-13-27-14-16-28(17-15-27)20-21-7-9-23(26)10-8-21/h7-12,19H,3-6,13-18,20H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine has a molecular weight of 431.02 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[4-(4-methoxy-2-propylphenoxy)butyl]piperazine is sourced from PubChem (CID 94036752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).