N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine

C17H28N2 — CID 103614666

IUPACN-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCc1ccccc1CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H28N2/c1-14(2)13-19-10-8-17(9-11-19)18-12-16-7-5-4-6-15(16)3/h4-7,14,17-18H,8-13H2,1-3H3
InChIKeyODGWSKANDLBSCU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine

N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103614666) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103614666
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCc1ccccc1CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H28N2/c1-14(2)13-19-10-8-17(9-11-19)18-12-16-7-5-4-6-15(16)3/h4-7,14,17-18H,8-13H2,1-3H3
InChIKeyODGWSKANDLBSCU-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776045
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-methylphenyl)methyl]piperidin-4-amine
CID 56796579
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614655
1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine
CID 4848760
N-(2-methyl-2-phenylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103777348
N-[(2-bromo-3-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 172648451
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 87021478
1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine (CID 103614666) is N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine is Cc1ccccc1CNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is ODGWSKANDLBSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)13-19-10-8-17(9-11-19)18-12-16-7-5-4-6-15(16)3/h4-7,14,17-18H,8-13H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103614666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).