N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine

C17H28N2 — CID 116951649

IUPACN-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(CC1CCCCN1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13(2)14-7-9-15(10-8-14)17(18-3)12-16-6-4-5-11-19-16/h7-10,13,16-19H,4-6,11-12H2,1-3H3
InChIKeyHPRAMCHIJNCMNY-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds5

About N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine

N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 116951649) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID116951649
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(CC1CCCCN1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H28N2/c1-13(2)14-7-9-15(10-8-14)17(18-3)12-16-6-4-5-11-19-16/h7-10,13,16-19H,4-6,11-12H2,1-3H3
InChIKeyHPRAMCHIJNCMNY-UHFFFAOYSA-N
XLogP3.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116951487
N-methyl-1-pyridin-4-yl-2-pyrrolidin-2-ylethanamine
CID 116951509
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951467
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
CID 116951508
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
1-(azepan-2-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-2-amine
CID 81356229
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
N-methyl-1-piperidin-2-yl-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 106623045

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine (CID 116951649) is N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine is CNC(CC1CCCCN1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is HPRAMCHIJNCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)14-7-9-15(10-8-14)17(18-3)12-16-6-4-5-11-19-16/h7-10,13,16-19H,4-6,11-12H2,1-3H3.
What are the key properties of N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine?
N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 116951649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).