1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine

C16H25N3 — CID 117403011

IUPAC1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
SMILESCC(C)N1CCN(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C16H25N3/c1-13(2)18-9-11-19(12-10-18)15-5-3-14(4-6-15)16(17)7-8-16/h3-6,13H,7-12,17H2,1-2H3
InChIKeyUOKWHCKPTQOHEZ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.16
Rot. Bonds3

About 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine

1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine (PubChem CID 117403011) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
PubChem CID117403011
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
SMILESCC(C)N1CCN(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C16H25N3/c1-13(2)18-9-11-19(12-10-18)15-5-3-14(4-6-15)16(17)7-8-16/h3-6,13H,7-12,17H2,1-2H3
InChIKeyUOKWHCKPTQOHEZ-UHFFFAOYSA-N
XLogP2.16
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine 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-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
CID 117436732
1-(4-ethenylphenyl)-4-propan-2-ylpiperazine
CID 141311274
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117466052
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
CID 83955031
(E)-3-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid
CID 43585529
1-(4-isocyanatophenyl)-4-propan-2-ylpiperazine
CID 169353830
1-propan-2-yl-4-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]piperazine
CID 58486200
(4-methylsulfanylphenyl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 166135522
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methylideneamino]urea
CID 168533510
N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
CID 83955073

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine (CID 117403011) is 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine is CC(C)N1CCN(c2ccc(C3(N)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine?
The InChIKey is UOKWHCKPTQOHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(2)18-9-11-19(12-10-18)15-5-3-14(4-6-15)16(17)7-8-16/h3-6,13H,7-12,17H2,1-2H3.
What are the key properties of 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine?
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117403011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).