4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline

C18H25N3 — CID 171304964

IUPAC4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
SMILESCCC(C)[C@H](c1ccnc2ccccc12)N1CCNCC1
InChIInChI=1S/C18H25N3/c1-3-14(2)18(21-12-10-19-11-13-21)16-8-9-20-17-7-5-4-6-15(16)17/h4-9,14,18-19H,3,10-13H2,1-2H3/t14?,18-/m1/s1
InChIKeyASVZQLNZJDYZON-XPKAQORNSA-N
MW283.42 g/mol
LogP3.23
Rot. Bonds4

About 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline

4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline (PubChem CID 171304964) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline.

Molecular Properties

Compound Name4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
PubChem CID171304964
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline
SMILESCCC(C)[C@H](c1ccnc2ccccc12)N1CCNCC1
InChIInChI=1S/C18H25N3/c1-3-14(2)18(21-12-10-19-11-13-21)16-8-9-20-17-7-5-4-6-15(16)17/h4-9,14,18-19H,3,10-13H2,1-2H3/t14?,18-/m1/s1
InChIKeyASVZQLNZJDYZON-XPKAQORNSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-piperazin-1-ylethyl)quinoline
CID 3377936
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440
4-[1-(1,4-diazepan-1-yl)ethyl]quinoline
CID 3750688
4-(1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985454
1-[(1R)-1-(2-fluoro-3-pyridinyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304461
2-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171304356
1-[(1R)-1-(2-iodophenyl)-2-methylbutyl]piperazine
CID 171304736
4-[phenyl(piperazin-1-yl)methyl]quinoline
CID 3561540
1-methyl-3-[(1S)-2-methyl-1-piperazin-1-ylbutyl]indole;dihydrochloride
CID 171305371
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
4-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]quinoline
CID 171297275
4-[(1S)-1-piperazin-1-ylprop-2-enyl]quinoline
CID 171284620

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline?
The IUPAC name of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline (CID 171304964) is 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline.
What is the SMILES notation for 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline?
The canonical SMILES for 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline is CCC(C)[C@H](c1ccnc2ccccc12)N1CCNCC1.
What is the InChIKey of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline?
The InChIKey is ASVZQLNZJDYZON-XPKAQORNSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-14(2)18(21-12-10-19-11-13-21)16-8-9-20-17-7-5-4-6-15(16)17/h4-9,14,18-19H,3,10-13H2,1-2H3/t14?,18-/m1/s1.
What are the key properties of 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline?
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline has a molecular weight of 283.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]quinoline is sourced from PubChem (CID 171304964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).