4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine

C15H25N3 — CID 106750697

IUPAC4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
SMILESCC(C)(C)C1CCN(c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)11-6-8-18(9-7-11)12-4-5-13(16)14(17)10-12/h4-5,10-11H,6-9,16-17H2,1-3H3
InChIKeySVFNFKVSQKTNMK-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.11
Rot. Bonds1

About 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine

4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine (PubChem CID 106750697) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
PubChem CID106750697
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
SMILESCC(C)(C)C1CCN(c2ccc(N)c(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-15(2,3)11-6-8-18(9-7-11)12-4-5-13(16)14(17)10-12/h4-5,10-11H,6-9,16-17H2,1-3H3
InChIKeySVFNFKVSQKTNMK-UHFFFAOYSA-N
XLogP3.11
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylazepan-1-yl)benzene-1,2-diamine
CID 106750874
4-(4-tert-butylpiperidin-1-yl)phenol
CID 164764149
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
4-(3,4-dimethylpyrrolidin-1-yl)benzene-1,2-diamine
CID 106750970
4-tert-butyl-1-phenylpiperidine
CID 612454
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
4-(4-tert-butylazepan-1-yl)-2-methylbenzenecarbothioamide
CID 81268147
2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 146019174
[4-(4-tert-butylpiperidin-1-yl)-2-methylphenyl]methanol
CID 62135741
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
4-[4-[2-(methylamino)propan-2-yl]piperidin-1-yl]aniline
CID 146239607

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine?
The IUPAC name of 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine (CID 106750697) is 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine?
The canonical SMILES for 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine is CC(C)(C)C1CCN(c2ccc(N)c(N)c2)CC1.
What is the InChIKey of 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine?
The InChIKey is SVFNFKVSQKTNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)11-6-8-18(9-7-11)12-4-5-13(16)14(17)10-12/h4-5,10-11H,6-9,16-17H2,1-3H3.
What are the key properties of 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine?
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 106750697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).