4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline

C17H28N2 — CID 62655648

IUPAC4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCCC(C)c1ccc(NCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-14(2)16-5-7-17(8-6-16)18-13-15-9-11-19(3)12-10-15/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyCZZZHIQHXFZOQT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.95
Rot. Bonds5

About 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline

4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 62655648) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID62655648
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCCC(C)c1ccc(NCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2/c1-4-14(2)16-5-7-17(8-6-16)18-13-15-9-11-19(3)12-10-15/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyCZZZHIQHXFZOQT-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
CID 62655952
propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
3-(4-butan-2-ylphenoxy)-1-methylpyrrolidine;2-methylpropane
CID 176937704
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527
N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 62659052
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658840
4-butan-2-yl-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833888
1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one
CID 62658675
2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 55100280
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
N-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 60857439

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 62655648) is 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline is CCC(C)c1ccc(NCC2CCN(C)CC2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is CZZZHIQHXFZOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-14(2)16-5-7-17(8-6-16)18-13-15-9-11-19(3)12-10-15/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 62655648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).