1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine

C15H24ClN3O — CID 62477828

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3O/c1-20-11-6-14(17)12-18-7-9-19(10-8-18)15-4-2-13(16)3-5-15/h2-5,14H,6-12,17H2,1H3
InChIKeyDSPXYXRFBZZSKP-UHFFFAOYSA-N
MW297.83 g/mol
LogP1.83
Rot. Bonds6

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine

1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine (PubChem CID 62477828) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
PubChem CID62477828
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine
SMILESCOCCC(N)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3O/c1-20-11-6-14(17)12-18-7-9-19(10-8-18)15-4-2-13(16)3-5-15/h2-5,14H,6-12,17H2,1H3
InChIKeyDSPXYXRFBZZSKP-UHFFFAOYSA-N
XLogP1.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
CID 43650418
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropanenitrile
CID 43367389
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 3583119
1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
CID 782883
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280
1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
CID 90407356

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine (CID 62477828) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine is COCCC(N)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine?
The InChIKey is DSPXYXRFBZZSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-20-11-6-14(17)12-18-7-9-19(10-8-18)15-4-2-13(16)3-5-15/h2-5,14H,6-12,17H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine?
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methoxybutan-2-amine is sourced from PubChem (CID 62477828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).