1-[(1R)-1-chloropropyl]-4-methylpiperazine

C8H17ClN2 — CID 34175169

IUPAC1-[(1R)-1-chloropropyl]-4-methylpiperazine
SMILESCC[C@@H](Cl)N1CCN(C)CC1
InChIInChI=1S/C8H17ClN2/c1-3-8(9)11-6-4-10(2)5-7-11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyASLAFDCWPQBPEH-QMMMGPOBSA-N
MW176.69 g/mol
LogP1.21
Rot. Bonds2

About 1-[(1R)-1-chloropropyl]-4-methylpiperazine

1-[(1R)-1-chloropropyl]-4-methylpiperazine (PubChem CID 34175169) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 1-[(1R)-1-chloropropyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1R)-1-chloropropyl]-4-methylpiperazine
PubChem CID34175169
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name1-[(1R)-1-chloropropyl]-4-methylpiperazine
SMILESCC[C@@H](Cl)N1CCN(C)CC1
InChIInChI=1S/C8H17ClN2/c1-3-8(9)11-6-4-10(2)5-7-11/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyASLAFDCWPQBPEH-QMMMGPOBSA-N
XLogP1.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-[(1R)-1-chloropropyl]-4-methylpiperazine 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-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
CID 118278399
3-(4-methylpiperazin-1-yl)pentan-2-one
CID 173103294
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
N-tert-butyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62438126
1-hexan-3-yl-4-methyl-1,4-diazepane
CID 170392230
3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid
CID 65420109
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
1-(1-chlorobutyl)pyrrolidine
CID 157280241
1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
CID 58786587
1,4-dimethylpiperazine;ethane
CID 91292414

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-chloropropyl]-4-methylpiperazine?
The IUPAC name of 1-[(1R)-1-chloropropyl]-4-methylpiperazine (CID 34175169) is 1-[(1R)-1-chloropropyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1R)-1-chloropropyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1R)-1-chloropropyl]-4-methylpiperazine is CC[C@@H](Cl)N1CCN(C)CC1.
What is the InChIKey of 1-[(1R)-1-chloropropyl]-4-methylpiperazine?
The InChIKey is ASLAFDCWPQBPEH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17ClN2/c1-3-8(9)11-6-4-10(2)5-7-11/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(1R)-1-chloropropyl]-4-methylpiperazine?
1-[(1R)-1-chloropropyl]-4-methylpiperazine has a molecular weight of 176.69 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-chloropropyl]-4-methylpiperazine is sourced from PubChem (CID 34175169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).