4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline

C15H24N2O2 — CID 176705345

IUPAC4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline
SMILESCOC(OC)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2O2/c1-18-15(19-2)13-7-9-17(10-8-13)11-12-3-5-14(16)6-4-12/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyMFENIUCDUZUPIH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds5

About 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline

4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline (PubChem CID 176705345) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline
PubChem CID176705345
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline
SMILESCOC(OC)C1CCN(Cc2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2O2/c1-18-15(19-2)13-7-9-17(10-8-13)11-12-3-5-14(16)6-4-12/h3-6,13,15H,7-11,16H2,1-2H3
InChIKeyMFENIUCDUZUPIH-UHFFFAOYSA-N
XLogP2.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
1-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854479
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[1-[(4-bromophenyl)methyl]piperidin-4-yl]ethanol
CID 103657050
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline?
The IUPAC name of 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline (CID 176705345) is 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline.
What is the SMILES notation for 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline?
The canonical SMILES for 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline is COC(OC)C1CCN(Cc2ccc(N)cc2)CC1.
What is the InChIKey of 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline?
The InChIKey is MFENIUCDUZUPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-18-15(19-2)13-7-9-17(10-8-13)11-12-3-5-14(16)6-4-12/h3-6,13,15H,7-11,16H2,1-2H3.
What are the key properties of 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline?
4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline is sourced from PubChem (CID 176705345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).