[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine

C17H28N2 — CID 107926168

IUPAC[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(N2CCC(C(C)(C)C)CC2)c(CN)c1
InChIInChI=1S/C17H28N2/c1-13-5-6-16(14(11-13)12-18)19-9-7-15(8-10-19)17(2,3)4/h5-6,11,15H,7-10,12,18H2,1-4H3
InChIKeyXWQNYQLBJTZFQU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.72
Rot. Bonds2

About [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine

[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine (PubChem CID 107926168) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
PubChem CID107926168
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
SMILESCc1ccc(N2CCC(C(C)(C)C)CC2)c(CN)c1
InChIInChI=1S/C17H28N2/c1-13-5-6-16(14(11-13)12-18)19-9-7-15(8-10-19)17(2,3)4/h5-6,11,15H,7-10,12,18H2,1-4H3
InChIKeyXWQNYQLBJTZFQU-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
[2-(azetidin-1-yl)-5-methylphenyl]methanamine
CID 126980462
[4-(4-tert-butylpiperidin-1-yl)-3-chlorophenyl]methanamine
CID 63088019
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
CID 107926386
2-(4-tert-butylpiperidin-1-yl)-4-methylbenzonitrile
CID 63510324
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 169490391
2-(4-tert-butylpiperidin-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939083
[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]methanamine
CID 62091270
4-(4-tert-butylpiperidin-1-yl)-3-iodoaniline
CID 66095409
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylphenyl]methanamine
CID 114016660
[2-[4-(methoxymethyl)piperidin-1-yl]-4-methylphenyl]methanamine
CID 63973998

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine?
The IUPAC name of [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine (CID 107926168) is [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine is Cc1ccc(N2CCC(C(C)(C)C)CC2)c(CN)c1.
What is the InChIKey of [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine?
The InChIKey is XWQNYQLBJTZFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-6-16(14(11-13)12-18)19-9-7-15(8-10-19)17(2,3)4/h5-6,11,15H,7-10,12,18H2,1-4H3.
What are the key properties of [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine?
[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine has a molecular weight of 260.43 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine is sourced from PubChem (CID 107926168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).