4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine

C34H50BrClN4O2 — CID 70566541

IUPAC4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
SMILESBrc1ccc(CN2CCOCC2)c(CN2CCOCC2)c1.Clc1ccc(CN2CCCCC2)c(CN2CCCCC2)c1
InChIInChI=1S/C18H27ClN2.C16H23BrN2O2/c19-18-8-7-16(14-20-9-3-1-4-10-20)17(13-18)15-21-11-5-2-6-12-21;17-16-2-1-14(12-18-3-7-20-8-4-18)15(11-16)13-19-5-9-21-10-6-19/h7-8,13H,1-6,9-12,14-15H2;1-2,11H,3-10,12-13H2
InChIKeyLVBTXAZCRRSCSP-UHFFFAOYSA-N
MW662.16 g/mol
LogP6.43
Rot. Bonds8

About 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine

4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine (PubChem CID 70566541) has the molecular formula C34H50BrClN4O2 and a molecular weight of 662.16 g/mol. Its IUPAC name is 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
PubChem CID70566541
Molecular FormulaC34H50BrClN4O2
Molecular Weight662.16 g/mol
Exact Mass660.28
IUPAC Name4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine
SMILESBrc1ccc(CN2CCOCC2)c(CN2CCOCC2)c1.Clc1ccc(CN2CCCCC2)c(CN2CCCCC2)c1
InChIInChI=1S/C18H27ClN2.C16H23BrN2O2/c19-18-8-7-16(14-20-9-3-1-4-10-20)17(13-18)15-21-11-5-2-6-12-21;17-16-2-1-14(12-18-3-7-20-8-4-18)15(11-16)13-19-5-9-21-10-6-19/h7-8,13H,1-6,9-12,14-15H2;1-2,11H,3-10,12-13H2
InChIKeyLVBTXAZCRRSCSP-UHFFFAOYSA-N
XLogP6.43
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.16
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 62986873
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CID 79712420
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
1-[(5-bromo-2-chlorophenyl)methyl]azetidine
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CID 118537804
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
CID 139210695
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
1-[(2,4-dichlorophenyl)methyl]azetidine
CID 127007358
4-[[5-bromo-2-(2-methylthiolan-2-yl)phenyl]methyl]morpholine
CID 70474791
4-[(5-chloro-2-propoxyphenyl)methyl]morpholine;hydron;chloride
CID 660603

Frequently Asked Questions

What is the IUPAC name of 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine (CID 70566541) is 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine is Brc1ccc(CN2CCOCC2)c(CN2CCOCC2)c1.Clc1ccc(CN2CCCCC2)c(CN2CCCCC2)c1.
What is the InChIKey of 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
The InChIKey is LVBTXAZCRRSCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2.C16H23BrN2O2/c19-18-8-7-16(14-20-9-3-1-4-10-20)17(13-18)15-21-11-5-2-6-12-21;17-16-2-1-14(12-18-3-7-20-8-4-18)15(11-16)13-19-5-9-21-10-6-19/h7-8,13H,1-6,9-12,14-15H2;1-2,11H,3-10,12-13H2.
What are the key properties of 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine?
4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine has a molecular weight of 662.16 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-bromo-2-(morpholin-4-ylmethyl)phenyl]methyl]morpholine;1-[[4-chloro-2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 70566541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).