1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine

C15H20BrN — CID 154033603

IUPAC1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine
SMILESBrC(c1ccc(N2CCCCC2)cc1)C1CC1
InChIInChI=1S/C15H20BrN/c16-15(12-4-5-12)13-6-8-14(9-7-13)17-10-2-1-3-11-17/h6-9,12,15H,1-5,10-11H2
InChIKeyDDDIVYWFSGFSNE-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.52
Rot. Bonds3

About 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine

1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine (PubChem CID 154033603) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine
PubChem CID154033603
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC Name1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine
SMILESBrC(c1ccc(N2CCCCC2)cc1)C1CC1
InChIInChI=1S/C15H20BrN/c16-15(12-4-5-12)13-6-8-14(9-7-13)17-10-2-1-3-11-17/h6-9,12,15H,1-5,10-11H2
InChIKeyDDDIVYWFSGFSNE-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
CID 162344345
(R)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
CID 162344344
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 171236528
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
(1R,2S)-1-phenyl-2-(4-piperidin-1-ylphenyl)ethane-1,2-diol
CID 102036092
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine?
The IUPAC name of 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine (CID 154033603) is 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine.
What is the SMILES notation for 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine?
The canonical SMILES for 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine is BrC(c1ccc(N2CCCCC2)cc1)C1CC1.
What is the InChIKey of 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine?
The InChIKey is DDDIVYWFSGFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c16-15(12-4-5-12)13-6-8-14(9-7-13)17-10-2-1-3-11-17/h6-9,12,15H,1-5,10-11H2.
What are the key properties of 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine?
1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine has a molecular weight of 294.24 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bromo(cyclopropyl)methyl]phenyl]piperidine is sourced from PubChem (CID 154033603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).