(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine

C21H28N2O3 — CID 11696837

IUPAC(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine
SMILESCOc1cc(N2CC[C@@H](N)[C@H](c3ccccc3C)C2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O3/c1-14-7-5-6-8-16(14)17-13-23(10-9-18(17)22)15-11-19(24-2)21(26-4)20(12-15)25-3/h5-8,11-12,17-18H,9-10,13,22H2,1-4H3/t17-,18+/m0/s1
InChIKeyDHPOJJFIVWBRIM-ZWKOTPCHSA-N
MW356.47 g/mol
LogP3.34
Rot. Bonds5

About (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine

(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine (PubChem CID 11696837) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine
PubChem CID11696837
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine
SMILESCOc1cc(N2CC[C@@H](N)[C@H](c3ccccc3C)C2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O3/c1-14-7-5-6-8-16(14)17-13-23(10-9-18(17)22)15-11-19(24-2)21(26-4)20(12-15)25-3/h5-8,11-12,17-18H,9-10,13,22H2,1-4H3/t17-,18+/m0/s1
InChIKeyDHPOJJFIVWBRIM-ZWKOTPCHSA-N
XLogP3.34
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
CID 45255008
(3S,4R)-1-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)piperidin-4-amine;hydrochloride
CID 45255003
7-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,4-thiazepane-4-carboxamide
CID 90631400
[(4S)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
CID 102233510
4-amino-1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 150618822
4-(2-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546673
2-(2-chlorophenyl)-1,3-bis(3,4,5-trimethoxyphenyl)imidazolidine
CID 134103891
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
3-butyl-1-(4-methoxy-3-phenylphenyl)piperidin-4-amine
CID 68684134
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine?
The IUPAC name of (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine (CID 11696837) is (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine?
The canonical SMILES for (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine is COc1cc(N2CC[C@@H](N)[C@H](c3ccccc3C)C2)cc(OC)c1OC.
What is the InChIKey of (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine?
The InChIKey is DHPOJJFIVWBRIM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-7-5-6-8-16(14)17-13-23(10-9-18(17)22)15-11-19(24-2)21(26-4)20(12-15)25-3/h5-8,11-12,17-18H,9-10,13,22H2,1-4H3/t17-,18+/m0/s1.
What are the key properties of (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine?
(3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(2-methylphenyl)-1-(3,4,5-trimethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 11696837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).