2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline

C18H29N3O2 — CID 59452610

IUPAC2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCOc1cc(N2CCC(N3CCCCC3)CC2)c(OC)cc1N
InChIInChI=1S/C18H29N3O2/c1-22-17-13-16(18(23-2)12-15(17)19)21-10-6-14(7-11-21)20-8-4-3-5-9-20/h12-14H,3-11,19H2,1-2H3
InChIKeyLYMARRFIDRWQFQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.74
Rot. Bonds4

About 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline

2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline (PubChem CID 59452610) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
PubChem CID59452610
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline
SMILESCOc1cc(N2CCC(N3CCCCC3)CC2)c(OC)cc1N
InChIInChI=1S/C18H29N3O2/c1-22-17-13-16(18(23-2)12-15(17)19)21-10-6-14(7-11-21)20-8-4-3-5-9-20/h12-14H,3-11,19H2,1-2H3
InChIKeyLYMARRFIDRWQFQ-UHFFFAOYSA-N
XLogP2.74
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyaniline
CID 135211742
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
2-methoxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 55231767
5-chloro-4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyaniline
CID 59452960
5-ethyl-2-methoxy-4-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)piperidin-1-yl]aniline
CID 177085199
5-[4-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 169222813
4-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 62590147
2-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)aniline
CID 63075904
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
2-methoxy-4-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-1-yl]-5-(1-methylpyrazol-4-yl)aniline
CID 168838663
4,5-dimethoxy-2-(4-propan-2-ylazepan-1-yl)aniline
CID 83004848

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The IUPAC name of 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline (CID 59452610) is 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The canonical SMILES for 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline is COc1cc(N2CCC(N3CCCCC3)CC2)c(OC)cc1N.
What is the InChIKey of 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
The InChIKey is LYMARRFIDRWQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-22-17-13-16(18(23-2)12-15(17)19)21-10-6-14(7-11-21)20-8-4-3-5-9-20/h12-14H,3-11,19H2,1-2H3.
What are the key properties of 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline?
2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline has a molecular weight of 319.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-(4-piperidin-1-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 59452610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).