N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

C17H28N2 — CID 43096146

IUPACN-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1ccccc1C(C)NCCCN1CCCCC1
InChIInChI=1S/C17H28N2/c1-15-9-4-5-10-17(15)16(2)18-11-8-14-19-12-6-3-7-13-19/h4-5,9-10,16,18H,3,6-8,11-14H2,1-2H3
InChIKeyCZXFQYHMGVLVLP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds6

About N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 43096146) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID43096146
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCc1ccccc1C(C)NCCCN1CCCCC1
InChIInChI=1S/C17H28N2/c1-15-9-4-5-10-17(15)16(2)18-11-8-14-19-12-6-3-7-13-19/h4-5,9-10,16,18H,3,6-8,11-14H2,1-2H3
InChIKeyCZXFQYHMGVLVLP-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819
1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone
CID 75382751
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (CID 43096146) is N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is Cc1ccccc1C(C)NCCCN1CCCCC1.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is CZXFQYHMGVLVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-9-4-5-10-17(15)16(2)18-11-8-14-19-12-6-3-7-13-19/h4-5,9-10,16,18H,3,6-8,11-14H2,1-2H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 43096146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).