N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline

C17H28N2O — CID 79549390

IUPACN-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
SMILESCC(CC1CCCCN1)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)20-17-9-7-15(8-10-17)19-14(3)12-16-6-4-5-11-18-16/h7-10,13-14,16,18-19H,4-6,11-12H2,1-3H3
InChIKeyAFURYDVBSISZBL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.81
Rot. Bonds6

About N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline

N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline (PubChem CID 79549390) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
PubChem CID79549390
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
SMILESCC(CC1CCCCN1)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)20-17-9-7-15(8-10-17)19-14(3)12-16-6-4-5-11-18-16/h7-10,13-14,16,18-19H,4-6,11-12H2,1-3H3
InChIKeyAFURYDVBSISZBL-UHFFFAOYSA-N
XLogP3.81
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
CID 79538614
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
CID 115917457
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
3-bromo-4-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537317
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline (CID 79549390) is N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline is CC(CC1CCCCN1)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline?
The InChIKey is AFURYDVBSISZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)20-17-9-7-15(8-10-17)19-14(3)12-16-6-4-5-11-18-16/h7-10,13-14,16,18-19H,4-6,11-12H2,1-3H3.
What are the key properties of N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline?
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline has a molecular weight of 276.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 79549390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).