1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine

C18H30N2O2 — CID 97214554

IUPAC1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine
SMILESCOCCCCN1CCN([C@H](C)c2ccccc2OC)CC1
InChIInChI=1S/C18H30N2O2/c1-16(17-8-4-5-9-18(17)22-3)20-13-11-19(12-14-20)10-6-7-15-21-2/h4-5,8-9,16H,6-7,10-15H2,1-3H3/t16-/m1/s1
InChIKeyHWQZUPDBDFGXNF-MRXNPFEDSA-N
MW306.45 g/mol
LogP2.80
Rot. Bonds8

About 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine

1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine (PubChem CID 97214554) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine
PubChem CID97214554
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine
SMILESCOCCCCN1CCN([C@H](C)c2ccccc2OC)CC1
InChIInChI=1S/C18H30N2O2/c1-16(17-8-4-5-9-18(17)22-3)20-13-11-19(12-14-20)10-6-7-15-21-2/h4-5,8-9,16H,6-7,10-15H2,1-3H3/t16-/m1/s1
InChIKeyHWQZUPDBDFGXNF-MRXNPFEDSA-N
XLogP2.80
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.80
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-[(1S)-1-(2-methoxyphenyl)ethyl]-4-[3-(1,2,4-triazol-1-yl)propyl]piperazine
CID 95339822
(2S)-1-ethoxy-3-[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-2-ol
CID 97213571
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
1-(2-chloroethyl)-4-[1-(2,4-dimethoxyphenyl)ethyl]piperazine
CID 4741631
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
(1R)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(2-methoxyphenyl)ethanamine
CID 104562658
1-[1-(2-methoxyphenyl)ethyl]-1,4-diazepane
CID 3722689
2-[4-(4-methoxybutyl)piperazin-1-yl]propanethioamide
CID 113436878
1-[4-(2-butan-2-ylphenoxy)butyl]-4-methylpiperidine
CID 2924362
2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
CID 47520556
1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7391642
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine (CID 97214554) is 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine is COCCCCN1CCN([C@H](C)c2ccccc2OC)CC1.
What is the InChIKey of 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine?
The InChIKey is HWQZUPDBDFGXNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-16(17-8-4-5-9-18(17)22-3)20-13-11-19(12-14-20)10-6-7-15-21-2/h4-5,8-9,16H,6-7,10-15H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine?
1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine has a molecular weight of 306.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 97214554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).