4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine

C20H23Br2N — CID 172840002

IUPAC4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ccc(Br)cc2)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23Br2N/c1-15(2)23-13-11-20(12-14-23,16-3-7-18(21)8-4-16)17-5-9-19(22)10-6-17/h3-10,15H,11-14H2,1-2H3
InChIKeyWQYTXHLFMXRZJX-UHFFFAOYSA-N
MW437.22 g/mol
LogP6.00
Rot. Bonds3

About 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine

4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine (PubChem CID 172840002) has the molecular formula C20H23Br2N and a molecular weight of 437.22 g/mol. Its IUPAC name is 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine
PubChem CID172840002
Molecular FormulaC20H23Br2N
Molecular Weight437.22 g/mol
Exact Mass435.02
IUPAC Name4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ccc(Br)cc2)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23Br2N/c1-15(2)23-13-11-20(12-14-23,16-3-7-18(21)8-4-16)17-5-9-19(22)10-6-17/h3-10,15H,11-14H2,1-2H3
InChIKeyWQYTXHLFMXRZJX-UHFFFAOYSA-N
XLogP6.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.22
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromophenyl)-4-methoxypiperidine;4-(4-bromophenyl)-4-methoxy-1-propan-2-ylpiperidine
CID 159130544
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 61415917
2-(4-bromophenyl)-2-methyl-4-propan-2-ylmorpholine;hydrochloride
CID 3066058
1-[4-(4-bromophenyl)-4-(4-methylphenyl)piperidin-1-yl]ethanimine
CID 143066792
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
CID 117403011
4-(4-bromophenyl)-4-(4-chlorophenyl)-1-methylpiperidine;4-(4-bromophenyl)-4-(4-chlorophenyl)piperidine;hydrochloride
CID 157460819
3-[4-(4-bromophenyl)-4-(4-methoxyphenyl)piperidin-1-yl]propanamide
CID 22118989
2-[1-(4-bromophenyl)cyclopropyl]propan-1-amine
CID 82381665
1-bromo-4-(1-phenylcyclohexyl)benzene
CID 163634651
1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol
CID 62795744
[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol
CID 134370434
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111319402

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine (CID 172840002) is 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine is CC(C)N1CCC(c2ccc(Br)cc2)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine?
The InChIKey is WQYTXHLFMXRZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Br2N/c1-15(2)23-13-11-20(12-14-23,16-3-7-18(21)8-4-16)17-5-9-19(22)10-6-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine?
4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine has a molecular weight of 437.22 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-bromophenyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 172840002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).