N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline

C18H30N2 — CID 63503555

IUPACN-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H30N2/c1-15(14-19-17-8-6-5-7-9-17)20-12-10-16(11-13-20)18(2,3)4/h5-9,15-16,19H,10-14H2,1-4H3
InChIKeyTVPUDWJAJUJQSS-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.25
Rot. Bonds4

About N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline

N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline (PubChem CID 63503555) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
PubChem CID63503555
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H30N2/c1-15(14-19-17-8-6-5-7-9-17)20-12-10-16(11-13-20)18(2,3)4/h5-9,15-16,19H,10-14H2,1-4H3
InChIKeyTVPUDWJAJUJQSS-UHFFFAOYSA-N
XLogP4.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline?
The IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline (CID 63503555) is N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline.
What is the SMILES notation for N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline?
The canonical SMILES for N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline is CC(CNc1ccccc1)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline?
The InChIKey is TVPUDWJAJUJQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(14-19-17-8-6-5-7-9-17)20-12-10-16(11-13-20)18(2,3)4/h5-9,15-16,19H,10-14H2,1-4H3.
What are the key properties of N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline?
N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline is sourced from PubChem (CID 63503555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).