2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine

C17H28N2 — CID 62657745

IUPAC2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
SMILESCN1CCCCC1CNCC(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-17(2,15-9-5-4-6-10-15)14-18-13-16-11-7-8-12-19(16)3/h4-6,9-10,16,18H,7-8,11-14H2,1-3H3
InChIKeyZYAPNPAKHCTZAE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.04
Rot. Bonds5

About 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine

2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 62657745) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
PubChem CID62657745
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine
SMILESCN1CCCCC1CNCC(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-17(2,15-9-5-4-6-10-15)14-18-13-16-11-7-8-12-19(16)3/h4-6,9-10,16,18H,7-8,11-14H2,1-3H3
InChIKeyZYAPNPAKHCTZAE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
N,N,2,2-tetramethyl-N'-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654671
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 103626279
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
2-methyl-N-(oxan-3-ylmethyl)-2-phenylpropan-1-amine
CID 63740219
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen
CID 144655907
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
CID 69304203
2-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-phenylpropan-1-amine
CID 82836262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine (CID 62657745) is 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine is CN1CCCCC1CNCC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is ZYAPNPAKHCTZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,15-9-5-4-6-10-15)14-18-13-16-11-7-8-12-19(16)3/h4-6,9-10,16,18H,7-8,11-14H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine?
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 62657745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).