1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine

C19H29BrN2O — CID 1333767

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
SMILESCOc1ccc(Br)cc1CN1CCC(N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C19H29BrN2O/c1-15-4-3-9-22(13-15)18-7-10-21(11-8-18)14-16-12-17(20)5-6-19(16)23-2/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyPVVZIKSNMTWZHQ-OAHLLOKOSA-N
MW381.36 g/mol
LogP4.15
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine

1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine (PubChem CID 1333767) has the molecular formula C19H29BrN2O and a molecular weight of 381.36 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
PubChem CID1333767
Molecular FormulaC19H29BrN2O
Molecular Weight381.36 g/mol
Exact Mass380.15
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
SMILESCOc1ccc(Br)cc1CN1CCC(N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C19H29BrN2O/c1-15-4-3-9-22(13-15)18-7-10-21(11-8-18)14-16-12-17(20)5-6-19(16)23-2/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3/t15-/m1/s1
InChIKeyPVVZIKSNMTWZHQ-OAHLLOKOSA-N
XLogP4.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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]azetidine
CID 130159732
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822
1-(1-benzylpiperidin-4-yl)-4-[(5-bromo-2-methoxyphenyl)methyl]piperazine;oxalic acid
CID 17366673
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
(1S,8aS)-2-[(5-bromo-2-methoxyphenyl)methyl]-1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124755214
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine (CID 1333767) is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine is COc1ccc(Br)cc1CN1CCC(N2CCC[C@@H](C)C2)CC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
The InChIKey is PVVZIKSNMTWZHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29BrN2O/c1-15-4-3-9-22(13-15)18-7-10-21(11-8-18)14-16-12-17(20)5-6-19(16)23-2/h5-6,12,15,18H,3-4,7-11,13-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine?
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine has a molecular weight of 381.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine is sourced from PubChem (CID 1333767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).