4-methoxy-N-(piperidin-3-ylmethyl)aniline

C13H20N2O — CID 79018605

IUPAC4-methoxy-N-(piperidin-3-ylmethyl)aniline
SMILESCOc1ccc(NCC2CCCNC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-13-6-4-12(5-7-13)15-10-11-3-2-8-14-9-11/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyBCAHRCYMPUYUIC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.11
Rot. Bonds4

About 4-methoxy-N-(piperidin-3-ylmethyl)aniline

4-methoxy-N-(piperidin-3-ylmethyl)aniline (PubChem CID 79018605) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-3-ylmethyl)aniline
PubChem CID79018605
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-methoxy-N-(piperidin-3-ylmethyl)aniline
SMILESCOc1ccc(NCC2CCCNC2)cc1
InChIInChI=1S/C13H20N2O/c1-16-13-6-4-12(5-7-13)15-10-11-3-2-8-14-9-11/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKeyBCAHRCYMPUYUIC-UHFFFAOYSA-N
XLogP2.11
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
4-(4-chlorophenoxy)-N-(pyrrolidin-3-ylmethyl)aniline
CID 86273324
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968409

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)aniline (CID 79018605) is 4-methoxy-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-N-(piperidin-3-ylmethyl)aniline is COc1ccc(NCC2CCCNC2)cc1.
What is the InChIKey of 4-methoxy-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is BCAHRCYMPUYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-13-6-4-12(5-7-13)15-10-11-3-2-8-14-9-11/h4-7,11,14-15H,2-3,8-10H2,1H3.
What are the key properties of 4-methoxy-N-(piperidin-3-ylmethyl)aniline?
4-methoxy-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 220.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 79018605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).