4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline

C17H27N3 — CID 89112708

IUPAC4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline
SMILESCc1cc(C2CCN(CC3(N)CC3)CC2)c(C)cc1N
InChIInChI=1S/C17H27N3/c1-12-10-16(18)13(2)9-15(12)14-3-7-20(8-4-14)11-17(19)5-6-17/h9-10,14H,3-8,11,18-19H2,1-2H3
InChIKeyHDWMZFAINTVMAC-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.56
Rot. Bonds3

About 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline

4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline (PubChem CID 89112708) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline.

Molecular Properties

Compound Name4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline
PubChem CID89112708
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline
SMILESCc1cc(C2CCN(CC3(N)CC3)CC2)c(C)cc1N
InChIInChI=1S/C17H27N3/c1-12-10-16(18)13(2)9-15(12)14-3-7-20(8-4-14)11-17(19)5-6-17/h9-10,14H,3-8,11,18-19H2,1-2H3
InChIKeyHDWMZFAINTVMAC-UHFFFAOYSA-N
XLogP2.56
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The IUPAC name of 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline (CID 89112708) is 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline.
What is the SMILES notation for 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The canonical SMILES for 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline is Cc1cc(C2CCN(CC3(N)CC3)CC2)c(C)cc1N.
What is the InChIKey of 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
The InChIKey is HDWMZFAINTVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-12-10-16(18)13(2)9-15(12)14-3-7-20(8-4-14)11-17(19)5-6-17/h9-10,14H,3-8,11,18-19H2,1-2H3.
What are the key properties of 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline?
4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline has a molecular weight of 273.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-aminocyclopropyl)methyl]piperidin-4-yl]-2,5-dimethylaniline is sourced from PubChem (CID 89112708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).