(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide

C19H30BrNO — CID 70588527

IUPAC(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide
SMILESBr.C=CCN1CC[C@@](CCC)(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C19H29NO.BrH/c1-5-10-19(17-8-7-9-18(14-17)21-4)11-13-20(12-6-2)15-16(19)3;/h6-9,14,16H,2,5,10-13,15H2,1,3-4H3;1H/t16-,19+;/m0./s1
InChIKeyBNGCVGPADPFEDJ-ZKKBRJJYSA-N
MW368.36 g/mol
LogP4.84
Rot. Bonds6

About (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide

(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide (PubChem CID 70588527) has the molecular formula C19H30BrNO and a molecular weight of 368.36 g/mol. Its IUPAC name is (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide.

Molecular Properties

Compound Name(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide
PubChem CID70588527
Molecular FormulaC19H30BrNO
Molecular Weight368.36 g/mol
Exact Mass367.15
IUPAC Name(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide
SMILESBr.C=CCN1CC[C@@](CCC)(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C19H29NO.BrH/c1-5-10-19(17-8-7-9-18(14-17)21-4)11-13-20(12-6-2)15-16(19)3;/h6-9,14,16H,2,5,10-13,15H2,1,3-4H3;1H/t16-,19+;/m0./s1
InChIKeyBNGCVGPADPFEDJ-ZKKBRJJYSA-N
XLogP4.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide
CID 70588510
(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 18393824
1-(cyclopropylmethyl)-3-methyl-4-phenyl-4-propylpiperidine
CID 57002707
(4aR,8aS)-8a-hydroxy-4a-(3-methoxyphenyl)-2-prop-2-enyl-1,3,4,5,7,8-hexahydroisoquinolin-6-one
CID 67693012
(4aS)-4a-(3-methoxyphenyl)-9-methyl-2-prop-2-enyl-3,4,5,6,11,11a-hexahydro-1H-pyrido[4,3-b]carbazole
CID 57217591
(4aS)-10-fluoro-4a-(3-methoxyphenyl)-2-prop-2-enyl-3,4,5,6,11,11a-hexahydro-1H-pyrido[4,3-b]carbazole
CID 57233453
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
N-[(4aR,6R,8aS)-8-methoxy-4a-(3-methoxyphenyl)-2-prop-2-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-6-yl]-N-methylbenzamide
CID 56991110
benzyl N-[(4aR,6S,8aS)-4a-(3-methoxyphenyl)-2-prop-2-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-6-yl]carbamate
CID 57160452
(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 10017636
4-methoxy-1-methyl-11-prop-2-enyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
CID 21453644
(Z)-but-2-enedioate;bis(4-(3-methoxyphenyl)-1,2,5-trimethyl-4-propylpiperidin-1-ium)
CID 70577501

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide?
The IUPAC name of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide (CID 70588527) is (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide.
What is the SMILES notation for (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide?
The canonical SMILES for (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide is Br.C=CCN1CC[C@@](CCC)(c2cccc(OC)c2)[C@@H](C)C1.
What is the InChIKey of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide?
The InChIKey is BNGCVGPADPFEDJ-ZKKBRJJYSA-N. The full InChI is InChI=1S/C19H29NO.BrH/c1-5-10-19(17-8-7-9-18(14-17)21-4)11-13-20(12-6-2)15-16(19)3;/h6-9,14,16H,2,5,10-13,15H2,1,3-4H3;1H/t16-,19+;/m0./s1.
What are the key properties of (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide?
(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide has a molecular weight of 368.36 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide is sourced from PubChem (CID 70588527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).