5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline

C17H28N2 — CID 115209791

IUPAC5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCc1ccc(C(C)(C)C)cc1NCC1CCNCC1
InChIInChI=1S/C17H28N2/c1-13-5-6-15(17(2,3)4)11-16(13)19-12-14-7-9-18-10-8-14/h5-6,11,14,18-19H,7-10,12H2,1-4H3
InChIKeyGSYDGNVNMFIWGD-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.70
Rot. Bonds3

About 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline

5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline (PubChem CID 115209791) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
PubChem CID115209791
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
SMILESCc1ccc(C(C)(C)C)cc1NCC1CCNCC1
InChIInChI=1S/C17H28N2/c1-13-5-6-15(17(2,3)4)11-16(13)19-12-14-7-9-18-10-8-14/h5-6,11,14,18-19H,7-10,12H2,1-4H3
InChIKeyGSYDGNVNMFIWGD-UHFFFAOYSA-N
XLogP3.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 79708126
2-methyl-N-(piperidin-4-ylmethyl)-5-propan-2-ylaniline
CID 115209825
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
3-methyl-4-(piperidin-4-ylmethylamino)benzoic acid
CID 79707293
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
N-ethyl-2-methyl-5-(2-piperidin-4-ylethyl)aniline
CID 142431546
4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208583
4-(4-tert-butyl-2-methylphenoxy)piperidine
CID 43351932
5-methyl-2-(piperidin-4-ylmethylamino)benzonitrile
CID 107931532
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
3-[(4-tert-butylcyclohexyl)methylamino]-4-methylbenzonitrile
CID 104575046

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline?
The IUPAC name of 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline (CID 115209791) is 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline?
The canonical SMILES for 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline is Cc1ccc(C(C)(C)C)cc1NCC1CCNCC1.
What is the InChIKey of 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline?
The InChIKey is GSYDGNVNMFIWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-6-15(17(2,3)4)11-16(13)19-12-14-7-9-18-10-8-14/h5-6,11,14,18-19H,7-10,12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline?
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline is sourced from PubChem (CID 115209791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).