1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine

C23H29BrN2 — CID 44580959

IUPAC1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine
SMILESBrc1ccc(CN2CCC(C3(c4ccccc4)CCCNC3)CC2)cc1
InChIInChI=1S/C23H29BrN2/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(13-4-14-25-18-23)20-5-2-1-3-6-20/h1-3,5-10,21,25H,4,11-18H2
InChIKeyLXBCMPSAFKDSSA-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.98
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine

1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine (PubChem CID 44580959) has the molecular formula C23H29BrN2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine
PubChem CID44580959
Molecular FormulaC23H29BrN2
Molecular Weight413.40 g/mol
Exact Mass412.15
IUPAC Name1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine
SMILESBrc1ccc(CN2CCC(C3(c4ccccc4)CCCNC3)CC2)cc1
InChIInChI=1S/C23H29BrN2/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(13-4-14-25-18-23)20-5-2-1-3-6-20/h1-3,5-10,21,25H,4,11-18H2
InChIKeyLXBCMPSAFKDSSA-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine (CID 44580959) is 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine is Brc1ccc(CN2CCC(C3(c4ccccc4)CCCNC3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine?
The InChIKey is LXBCMPSAFKDSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2/c24-22-9-7-19(8-10-22)17-26-15-11-21(12-16-26)23(13-4-14-25-18-23)20-5-2-1-3-6-20/h1-3,5-10,21,25H,4,11-18H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine?
1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine has a molecular weight of 413.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(3-phenylpiperidin-3-yl)piperidine is sourced from PubChem (CID 44580959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).