N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine

C17H29N3 — CID 64938924

IUPACN,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
SMILESCC1CN(CCCCN(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C17H29N3/c1-15-14-20(12-8-7-11-19(2)3)17(13-18-15)16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3
InChIKeyUYIQENLLVUPAOZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.36
Rot. Bonds6

About N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine

N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine (PubChem CID 64938924) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
PubChem CID64938924
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine
SMILESCC1CN(CCCCN(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C17H29N3/c1-15-14-20(12-8-7-11-19(2)3)17(13-18-15)16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3
InChIKeyUYIQENLLVUPAOZ-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
CID 64934814
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
5-methyl-1-(3-methylbut-2-enyl)-2-phenylpiperazine
CID 107901428
1-[(E)-3-chloro-2-methylprop-2-enyl]-5-methyl-2-phenylpiperazine
CID 114188917
2-(2-benzyl-5-methylpiperazin-1-yl)-N,N-dimethylethanamine
CID 82246267
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936336
3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
CID 83246148
5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
CID 106211749

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine (CID 64938924) is N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine is CC1CN(CCCCN(C)C)C(c2ccccc2)CN1.
What is the InChIKey of N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine?
The InChIKey is UYIQENLLVUPAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15-14-20(12-8-7-11-19(2)3)17(13-18-15)16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,7-8,11-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine?
N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methyl-2-phenylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 64938924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).