4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine

C18H27BrN2 — CID 20689417

IUPAC4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine
SMILESCN1CCC(N2CCC(Cc3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H27BrN2/c1-20-10-8-18(9-11-20)21-12-6-16(7-13-21)14-15-2-4-17(19)5-3-15/h2-5,16,18H,6-14H2,1H3
InChIKeyMQUFAWFYKBSMCG-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.80
Rot. Bonds3

About 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine

4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine (PubChem CID 20689417) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine
PubChem CID20689417
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine
SMILESCN1CCC(N2CCC(Cc3ccc(Br)cc3)CC2)CC1
InChIInChI=1S/C18H27BrN2/c1-20-10-8-18(9-11-20)21-12-6-16(7-13-21)14-15-2-4-17(19)5-3-15/h2-5,16,18H,6-14H2,1H3
InChIKeyMQUFAWFYKBSMCG-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
CID 116926572
4-[(4-bromophenyl)methyl]-1-methylsulfanylpiperidine
CID 166656776
4-benzyl-1-methylpiperidine;ethane
CID 142009767
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine
CID 155200692
4-benzyl-1-methylazepane
CID 123177845
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanol
CID 83835284
4-(4-benzylpiperidin-1-yl)cyclohexan-1-amine
CID 62806898
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine (CID 20689417) is 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine is CN1CCC(N2CCC(Cc3ccc(Br)cc3)CC2)CC1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is MQUFAWFYKBSMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-20-10-8-18(9-11-20)21-12-6-16(7-13-21)14-15-2-4-17(19)5-3-15/h2-5,16,18H,6-14H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine?
4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 351.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 20689417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).