1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine

C19H32N2O — CID 170863422

IUPAC1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
SMILESCCCCCOc1ccccc1CCCN1CCN(C)CC1
InChIInChI=1S/C19H32N2O/c1-3-4-7-17-22-19-11-6-5-9-18(19)10-8-12-21-15-13-20(2)14-16-21/h5-6,9,11H,3-4,7-8,10,12-17H2,1-2H3
InChIKeyUMPXHPDWUQSNTP-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.44
Rot. Bonds9

About 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine

1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine (PubChem CID 170863422) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
PubChem CID170863422
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
SMILESCCCCCOc1ccccc1CCCN1CCN(C)CC1
InChIInChI=1S/C19H32N2O/c1-3-4-7-17-22-19-11-6-5-9-18(19)10-8-12-21-15-13-20(2)14-16-21/h5-6,9,11H,3-4,7-8,10,12-17H2,1-2H3
InChIKeyUMPXHPDWUQSNTP-UHFFFAOYSA-N
XLogP3.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856258
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine (CID 170863422) is 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine is CCCCCOc1ccccc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine?
The InChIKey is UMPXHPDWUQSNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-3-4-7-17-22-19-11-6-5-9-18(19)10-8-12-21-15-13-20(2)14-16-21/h5-6,9,11H,3-4,7-8,10,12-17H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine?
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine has a molecular weight of 304.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine is sourced from PubChem (CID 170863422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).