3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide

C20H34BrNO — CID 70588510

IUPAC3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide
SMILESBr.CCCC1(c2cccc(OC)c2)CCN(C(C)C)CC1CC
InChIInChI=1S/C20H33NO.BrH/c1-6-11-20(18-9-8-10-19(14-18)22-5)12-13-21(16(3)4)15-17(20)7-2;/h8-10,14,16-17H,6-7,11-13,15H2,1-5H3;1H
InChIKeyHPXGSSPWWKDNTI-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.45
Rot. Bonds6

About 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide

3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide (PubChem CID 70588510) has the molecular formula C20H34BrNO and a molecular weight of 384.40 g/mol. Its IUPAC name is 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide.

Molecular Properties

Compound Name3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide
PubChem CID70588510
Molecular FormulaC20H34BrNO
Molecular Weight384.40 g/mol
Exact Mass383.18
IUPAC Name3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide
SMILESBr.CCCC1(c2cccc(OC)c2)CCN(C(C)C)CC1CC
InChIInChI=1S/C20H33NO.BrH/c1-6-11-20(18-9-8-10-19(14-18)22-5)12-13-21(16(3)4)15-17(20)7-2;/h8-10,14,16-17H,6-7,11-13,15H2,1-5H3;1H
InChIKeyHPXGSSPWWKDNTI-UHFFFAOYSA-N
XLogP5.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide
CID 70588527
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
CID 74070212
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 18393824
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
6-bromo-2-(3-methoxyphenyl)-2-propylcyclohexan-1-one
CID 67096197
1-ethyl-4-(3-propan-2-yloxyphenyl)-4-propylpiperidine
CID 23001016
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide?
The IUPAC name of 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide (CID 70588510) is 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide.
What is the SMILES notation for 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide?
The canonical SMILES for 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide is Br.CCCC1(c2cccc(OC)c2)CCN(C(C)C)CC1CC.
What is the InChIKey of 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide?
The InChIKey is HPXGSSPWWKDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO.BrH/c1-6-11-20(18-9-8-10-19(14-18)22-5)12-13-21(16(3)4)15-17(20)7-2;/h8-10,14,16-17H,6-7,11-13,15H2,1-5H3;1H.
What are the key properties of 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide?
3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide has a molecular weight of 384.40 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-methoxyphenyl)-1-propan-2-yl-4-propylpiperidine;hydrobromide is sourced from PubChem (CID 70588510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).