N-(3-bromophenyl)-1-piperidin-1-ylmethanimine

C12H15BrN2 — CID 523894

IUPACN-(3-bromophenyl)-1-piperidin-1-ylmethanimine
SMILESBrc1cccc(/N=C/N2CCCCC2)c1
InChIInChI=1S/C12H15BrN2/c13-11-5-4-6-12(9-11)14-10-15-7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2/b14-10+
InChIKeyJQFCLROWAXRVGB-GXDHUFHOSA-N
MW267.17 g/mol
LogP3.59
Rot. Bonds2

About N-(3-bromophenyl)-1-piperidin-1-ylmethanimine

N-(3-bromophenyl)-1-piperidin-1-ylmethanimine (PubChem CID 523894) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-piperidin-1-ylmethanimine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-piperidin-1-ylmethanimine
PubChem CID523894
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC NameN-(3-bromophenyl)-1-piperidin-1-ylmethanimine
SMILESBrc1cccc(/N=C/N2CCCCC2)c1
InChIInChI=1S/C12H15BrN2/c13-11-5-4-6-12(9-11)14-10-15-7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2/b14-10+
InChIKeyJQFCLROWAXRVGB-GXDHUFHOSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-1-piperidin-1-ylmethanimine
CID 523901
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
1-[4-(3-azaspiro[5.5]undecan-3-yl)phenyl]-N-(3-bromophenyl)methanimine;hydrochloride
CID 54603380
N,N'-bis(3-bromophenyl)methanimidamide
CID 525806
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
1-(3-bromophenyl)pyrrolidine
CID 7016459
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
1-[(3-bromophenyl)-piperidin-1-ylmethyl]piperidine
CID 71395671
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
(3-bromophenyl)-(2-methylphenyl)diazene
CID 563793
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-piperidin-1-ylmethanimine?
The IUPAC name of N-(3-bromophenyl)-1-piperidin-1-ylmethanimine (CID 523894) is N-(3-bromophenyl)-1-piperidin-1-ylmethanimine.
What is the SMILES notation for N-(3-bromophenyl)-1-piperidin-1-ylmethanimine?
The canonical SMILES for N-(3-bromophenyl)-1-piperidin-1-ylmethanimine is Brc1cccc(/N=C/N2CCCCC2)c1.
What is the InChIKey of N-(3-bromophenyl)-1-piperidin-1-ylmethanimine?
The InChIKey is JQFCLROWAXRVGB-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H15BrN2/c13-11-5-4-6-12(9-11)14-10-15-7-2-1-3-8-15/h4-6,9-10H,1-3,7-8H2/b14-10+.
What are the key properties of N-(3-bromophenyl)-1-piperidin-1-ylmethanimine?
N-(3-bromophenyl)-1-piperidin-1-ylmethanimine has a molecular weight of 267.17 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-piperidin-1-ylmethanimine is sourced from PubChem (CID 523894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).