1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine

C16H25N3O — CID 63913419

IUPAC1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
SMILESCOc1ccc(N2CCN(CC(N)C3CC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-20-15-6-4-14(5-7-15)19-10-8-18(9-11-19)12-16(17)13-2-3-13/h4-7,13,16H,2-3,8-12,17H2,1H3
InChIKeyDSULTRFXQPBVPM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.55
Rot. Bonds5

About 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine

1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine (PubChem CID 63913419) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
PubChem CID63913419
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
SMILESCOc1ccc(N2CCN(CC(N)C3CC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-20-15-6-4-14(5-7-15)19-10-8-18(9-11-19)12-16(17)13-2-3-13/h4-7,13,16H,2-3,8-12,17H2,1H3
InChIKeyDSULTRFXQPBVPM-UHFFFAOYSA-N
XLogP1.55
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 64792176
1-[4-(4-methoxyphenyl)piperazin-1-yl]pentan-2-amine
CID 43650418
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
(2R)-1-chloro-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 2106519
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
CID 65458650
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
1-(4-methoxyphenyl)-4-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine;dihydrochloride
CID 70078757
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine (CID 63913419) is 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine is COc1ccc(N2CCN(CC(N)C3CC3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
The InChIKey is DSULTRFXQPBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-15-6-4-14(5-7-15)19-10-8-18(9-11-19)12-16(17)13-2-3-13/h4-7,13,16H,2-3,8-12,17H2,1H3.
What are the key properties of 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 63913419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).