N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine

C17H28N2 — CID 28652659

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1ccccc1[C@@H](C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H28N2/c1-13(2)19-11-9-16(10-12-19)18-15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18H,9-12H2,1-4H3/t15-/m1/s1
InChIKeyXNZWAEUBPUQFEQ-OAHLLOKOSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds4

About N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine

N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 28652659) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID28652659
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCc1ccccc1[C@@H](C)NC1CCN(C(C)C)CC1
InChIInChI=1S/C17H28N2/c1-13(2)19-11-9-16(10-12-19)18-15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18H,9-12H2,1-4H3/t15-/m1/s1
InChIKeyXNZWAEUBPUQFEQ-OAHLLOKOSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine 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

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
CID 43098203
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 83206943
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
4,4-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 81373520
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 81374284

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 28652659) is N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine is Cc1ccccc1[C@@H](C)NC1CCN(C(C)C)CC1.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is XNZWAEUBPUQFEQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)19-11-9-16(10-12-19)18-15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18H,9-12H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 28652659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).