3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine

C19H29BrN2O2 — CID 20628476

IUPAC3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine
SMILESCOc1ccc(Br)cc1COC1CCCN(CCN2CCCC2)C1
InChIInChI=1S/C19H29BrN2O2/c1-23-19-7-6-17(20)13-16(19)15-24-18-5-4-10-22(14-18)12-11-21-8-2-3-9-21/h6-7,13,18H,2-5,8-12,14-15H2,1H3
InChIKeyQNFAHVYDPOUQBY-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.53
Rot. Bonds7

About 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine

3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine (PubChem CID 20628476) has the molecular formula C19H29BrN2O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine
PubChem CID20628476
Molecular FormulaC19H29BrN2O2
Molecular Weight397.36 g/mol
Exact Mass396.14
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine
SMILESCOc1ccc(Br)cc1COC1CCCN(CCN2CCCC2)C1
InChIInChI=1S/C19H29BrN2O2/c1-23-19-7-6-17(20)13-16(19)15-24-18-5-4-10-22(14-18)12-11-21-8-2-3-9-21/h6-7,13,18H,2-5,8-12,14-15H2,1H3
InChIKeyQNFAHVYDPOUQBY-UHFFFAOYSA-N
XLogP3.53
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633518
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
4-bromo-2-[(3,5-dimethylcyclohexyl)oxymethyl]-1-methoxybenzene
CID 64730795
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873
2-[(5-bromo-2-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78950366
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine (CID 20628476) is 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine is COc1ccc(Br)cc1COC1CCCN(CCN2CCCC2)C1.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine?
The InChIKey is QNFAHVYDPOUQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O2/c1-23-19-7-6-17(20)13-16(19)15-24-18-5-4-10-22(14-18)12-11-21-8-2-3-9-21/h6-7,13,18H,2-5,8-12,14-15H2,1H3.
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine?
3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine has a molecular weight of 397.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methoxy]-1-(2-pyrrolidin-1-ylethyl)piperidine is sourced from PubChem (CID 20628476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).