4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline

C18H29N3 — CID 80555597

IUPAC4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline
SMILESCC(C)(CN1CCN(CC2CC2)CC1)c1ccc(N)cc1
InChIInChI=1S/C18H29N3/c1-18(2,16-5-7-17(19)8-6-16)14-21-11-9-20(10-12-21)13-15-3-4-15/h5-8,15H,3-4,9-14,19H2,1-2H3
InChIKeyWQYMJGLBOLORMB-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.57
Rot. Bonds5

About 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline

4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline (PubChem CID 80555597) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline
PubChem CID80555597
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline
SMILESCC(C)(CN1CCN(CC2CC2)CC1)c1ccc(N)cc1
InChIInChI=1S/C18H29N3/c1-18(2,16-5-7-17(19)8-6-16)14-21-11-9-20(10-12-21)13-15-3-4-15/h5-8,15H,3-4,9-14,19H2,1-2H3
InChIKeyWQYMJGLBOLORMB-UHFFFAOYSA-N
XLogP2.57
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-2-yl]aniline
CID 80556451
4-[1-(2,6-dimethylthiomorpholin-4-yl)-2-methylpropan-2-yl]aniline
CID 80556525
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
1-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 64821370
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 61440176
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454127
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
3-[4-(cyclopentylmethyl)piperazin-1-yl]aniline
CID 61344824

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline?
The IUPAC name of 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline (CID 80555597) is 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline.
What is the SMILES notation for 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline?
The canonical SMILES for 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline is CC(C)(CN1CCN(CC2CC2)CC1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline?
The InChIKey is WQYMJGLBOLORMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-18(2,16-5-7-17(19)8-6-16)14-21-11-9-20(10-12-21)13-15-3-4-15/h5-8,15H,3-4,9-14,19H2,1-2H3.
What are the key properties of 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline?
4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline has a molecular weight of 287.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-2-yl]aniline is sourced from PubChem (CID 80555597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).