[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine

C17H28N2 — CID 62091604

IUPAC[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC(C)(C)C1CCN(Cc2ccccc2CN)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)16-8-10-19(11-9-16)13-15-7-5-4-6-14(15)12-18/h4-7,16H,8-13,18H2,1-3H3
InChIKeyHJDJSFYMWUBJDD-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.40
Rot. Bonds3

About [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine

[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 62091604) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID62091604
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC(C)(C)C1CCN(Cc2ccccc2CN)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)16-8-10-19(11-9-16)13-15-7-5-4-6-14(15)12-18/h4-7,16H,8-13,18H2,1-3H3
InChIKeyHJDJSFYMWUBJDD-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895524
2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76934516
2-bromo-6-[(4-tert-butylpiperidin-1-yl)methyl]phenol
CID 82986532
methyl 2-[(4-tert-butylpiperidin-1-yl)methyl]benzoate
CID 82958884
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900561
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
CID 131137641
3-[(4-tert-butylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639899
3-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 62091793
4-tert-butyl-1-[(3-tert-butylphenyl)methyl]piperidine
CID 153484507
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143

Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine (CID 62091604) is [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine is CC(C)(C)C1CCN(Cc2ccccc2CN)CC1.
What is the InChIKey of [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is HJDJSFYMWUBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)16-8-10-19(11-9-16)13-15-7-5-4-6-14(15)12-18/h4-7,16H,8-13,18H2,1-3H3.
What are the key properties of [2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine?
[2-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 260.42 g/mol, XLogP of 3.40, 3 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)methyl]phenyl]methanamine is sourced from PubChem (CID 62091604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).