(3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone

C20H24N2O2 — CID 171933133

IUPAC(3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-5-6-12-22(15)20(23)17-10-11-19(18(21)13-17)24-14-16-8-3-2-4-9-16/h2-4,8-11,13,15H,5-7,12,14,21H2,1H3
InChIKeyOAKHLARBLJAVEB-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.86
Rot. Bonds4

About (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone

(3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 171933133) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID171933133
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(OCc2ccccc2)c(N)c1
InChIInChI=1S/C20H24N2O2/c1-15-7-5-6-12-22(15)20(23)17-10-11-19(18(21)13-17)24-14-16-8-3-2-4-9-16/h2-4,8-11,13,15H,5-7,12,14,21H2,1H3
InChIKeyOAKHLARBLJAVEB-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-4-(3-amino-4-phenylmethoxybenzoyl)-2-methylpiperazine-1-carboxylate
CID 171933156
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1012341
tert-butyl N-[[1-(3-amino-4-phenylmethoxybenzoyl)piperidin-4-yl]methyl]carbamate
CID 171933146
(3-amino-4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61094073
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
CID 122195788
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
(3-amino-4-ethoxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 61091912
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
3-(3-amino-4-ethoxyphenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82071355

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone (CID 171933133) is (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(OCc2ccccc2)c(N)c1.
What is the InChIKey of (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is OAKHLARBLJAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-7-5-6-12-22(15)20(23)17-10-11-19(18(21)13-17)24-14-16-8-3-2-4-9-16/h2-4,8-11,13,15H,5-7,12,14,21H2,1H3.
What are the key properties of (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone?
(3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 324.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenylmethoxyphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 171933133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).