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

C16H26N2O — CID 83961752

IUPAC5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NCC1CCCNC1
InChIInChI=1S/C16H26N2O/c1-3-9-19-16-7-6-13(2)10-15(16)18-12-14-5-4-8-17-11-14/h6-7,10,14,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyKRVNHVJGBPKWNJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.20
Rot. Bonds6

About 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline

5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline (PubChem CID 83961752) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline.

Molecular Properties

Compound Name5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
PubChem CID83961752
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
SMILESCCCOc1ccc(C)cc1NCC1CCCNC1
InChIInChI=1S/C16H26N2O/c1-3-9-19-16-7-6-13(2)10-15(16)18-12-14-5-4-8-17-11-14/h6-7,10,14,17-18H,3-5,8-9,11-12H2,1-2H3
InChIKeyKRVNHVJGBPKWNJ-UHFFFAOYSA-N
XLogP3.20
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-5-methyl-2-propoxyaniline
CID 83961753
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573
N-(2-cyclohexylethyl)-5-methyl-2-propoxyaniline
CID 83961757
N-(cyclopentylmethyl)-2-methoxy-5-methylaniline
CID 61344463
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
2-(2,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119462971
N,5-dimethyl-2-propoxyaniline
CID 82263415
2-(5-methyl-2-propoxyanilino)ethanethiol
CID 83961741
N-(2-methoxy-5-methylphenyl)-2-piperidin-3-ylacetamide
CID 62689682
N-(cyclopropylmethyl)-2-propoxyaniline
CID 43682348

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline?
The IUPAC name of 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline (CID 83961752) is 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline.
What is the SMILES notation for 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline?
The canonical SMILES for 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline is CCCOc1ccc(C)cc1NCC1CCCNC1.
What is the InChIKey of 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline?
The InChIKey is KRVNHVJGBPKWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-19-16-7-6-13(2)10-15(16)18-12-14-5-4-8-17-11-14/h6-7,10,14,17-18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline?
5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline is sourced from PubChem (CID 83961752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).