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

C17H27N3 — CID 117436732

IUPAC1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC(C)N1CCN(c2ccc(CC3(N)CC3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-14(2)19-9-11-20(12-10-19)16-5-3-15(4-6-16)13-17(18)7-8-17/h3-6,14H,7-13,18H2,1-2H3
InChIKeyPEHFOWWWQQLGPF-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.25
Rot. Bonds4

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

1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117436732) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117436732
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
SMILESCC(C)N1CCN(c2ccc(CC3(N)CC3)cc2)CC1
InChIInChI=1S/C17H27N3/c1-14(2)19-9-11-20(12-10-19)16-5-3-15(4-6-16)13-17(18)7-8-17/h3-6,14H,7-13,18H2,1-2H3
InChIKeyPEHFOWWWQQLGPF-UHFFFAOYSA-N
XLogP2.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
CID 117403011
1-[(4-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
CID 117333067
1-(4-ethenylphenyl)-4-propan-2-ylpiperazine
CID 141311274
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methyl]cyclopropan-1-amine
CID 117333060
4-[4-[(1-aminocyclopropyl)methyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117436103
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
CID 83955031
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117466052
N,N'-dimethyl-N'-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]propane-1,3-diamine
CID 155405564
2-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 141184673
4-[(4-fluorophenyl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 60895688

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine (CID 117436732) is 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine is CC(C)N1CCN(c2ccc(CC3(N)CC3)cc2)CC1.
What is the InChIKey of 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is PEHFOWWWQQLGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(2)19-9-11-20(12-10-19)16-5-3-15(4-6-16)13-17(18)7-8-17/h3-6,14H,7-13,18H2,1-2H3.
What are the key properties of 1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.25, 4 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]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117436732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).