N-(piperidin-3-ylmethyl)-2-propoxyaniline

C15H24N2O — CID 80553333

IUPACN-(piperidin-3-ylmethyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC1CCCNC1
InChIInChI=1S/C15H24N2O/c1-2-10-18-15-8-4-3-7-14(15)17-12-13-6-5-9-16-11-13/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3
InChIKeyOYXLQAXQKNRJRM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.89
Rot. Bonds6

About N-(piperidin-3-ylmethyl)-2-propoxyaniline

N-(piperidin-3-ylmethyl)-2-propoxyaniline (PubChem CID 80553333) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-propoxyaniline.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-propoxyaniline
PubChem CID80553333
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(piperidin-3-ylmethyl)-2-propoxyaniline
SMILESCCCOc1ccccc1NCC1CCCNC1
InChIInChI=1S/C15H24N2O/c1-2-10-18-15-8-4-3-7-14(15)17-12-13-6-5-9-16-11-13/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3
InChIKeyOYXLQAXQKNRJRM-UHFFFAOYSA-N
XLogP2.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 83961752
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573
N-[(1-methylpiperidin-4-yl)methyl]-2-propoxyaniline
CID 55100134
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
3-[(2-propoxyphenoxy)methyl]pyrrolidine
CID 55064564
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
N-cyclohexyl-2-propoxyaniline
CID 43682292

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-propoxyaniline?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-propoxyaniline (CID 80553333) is N-(piperidin-3-ylmethyl)-2-propoxyaniline.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-propoxyaniline?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-propoxyaniline is CCCOc1ccccc1NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-propoxyaniline?
The InChIKey is OYXLQAXQKNRJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-10-18-15-8-4-3-7-14(15)17-12-13-6-5-9-16-11-13/h3-4,7-8,13,16-17H,2,5-6,9-12H2,1H3.
What are the key properties of N-(piperidin-3-ylmethyl)-2-propoxyaniline?
N-(piperidin-3-ylmethyl)-2-propoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-propoxyaniline is sourced from PubChem (CID 80553333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).